diff --git a/.gitignore b/.gitignore
index f02fa59..b629069 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,2 +1,3 @@
 *.pyc 
 *.bak
+.idea
diff --git a/evaluators.py b/evaluators.py
index 9865380..bb92c46 100755
--- a/evaluators.py
+++ b/evaluators.py
@@ -376,7 +376,7 @@ def openmm_energy_minimize(settings, individual):
         dielectric = 80.0
         gpu_openmm = True
         gpudeviceindex = 0
-        simAnneal = True 
+        simAnneal = False
         md = False
 
     Parameters
@@ -452,10 +452,10 @@ def openmm_energy_minimize(settings, individual):
         integrator = openmmtools.integrators.GradientDescentMinimizationIntegrator(initial_step_size=0.04 * u.angstroms)  
         sim = app.Simulation(tleapfiles.topology, system, integrator, platform, prop)
         sim.context.setPositions(tleapfiles.positions)
-        
-        sim.reporters.append(StateDataReporter(os.devnull, 15000, step=True, potentialEnergy=True,kineticEnergy=True, temperature=True))
-        sim.reporters.append(app.PDBReporter(directory +'/min.pdb', 15000))
-        sim.step(15000)
+        sim.minimizeEnergy(maxIterations=1000)
+        sim.reporters.append(StateDataReporter(os.devnull, 1000, step=True, potentialEnergy=True,kineticEnergy=True, temperature=True))
+        sim.reporters.append(app.PDBReporter(directory +'/min.pdb', 1000))
+        sim.step(1000)
         state = sim.context.getState(getEnergy=True,getPositions=True)
         finalEnergy=state.getPotentialEnergy().value_in_unit(u.kilocalories_per_mole)
         
@@ -585,10 +585,15 @@ def helical_stability(settings, individuals, fitness_index, pop_start=0):
             print("Already computed: " , i, " -> member ", already_done)
             individuals[i].mol = openbabel.OBMol(individuals[already_done].mol)
             individuals[i].fitnesses = individuals[already_done].fitnesses
+            individuals[i].energies = individuals[already_done].energies
             continue     
                
         add = 0.0
-        negate = settings.initial_energy
+        negate = 0.0
+
+        #Entropy corrections
+        entropy_add=0.0
+        entropy_negate=0.0
     
         print("Minimising: ", i, [mi.getResType(individuals[i].mol.GetResidue(j)) for j in settings.composition_residue_indexes])
         print("Rotamers: ", [cnts.selected_rotamers[v] for v in individuals[i].composition])
@@ -606,12 +611,29 @@ def helical_stability(settings, individuals, fitness_index, pop_start=0):
             
             add += constants.energies[str(settings.originalResidues[j])][settings.helical_dielectric]
             negate += constants.energies[res][settings.helical_dielectric]
-            print('add',str(settings.originalResidues[j]), constants.energies[str(settings.originalResidues[j])][settings.helical_dielectric])
-            print('negate',res,'-(', settings.initial_energy,'+', constants.energies[res][settings.helical_dielectric],')')
-            
+            if settings.entropy_correction:
+                entropy_add+=constants.entropy_corrections[str(settings.originalResidues[j])][settings.entropy_correction]
+                entropy_negate+=constants.entropy_corrections[res][settings.entropy_correction]
+
+            #print('add',str(settings.originalResidues[j]), constants.energies[str(settings.originalResidues[j])][settings.helical_dielectric])
+            #print('negate',res,'-(', settings.initial_energy,'+', constants.energies[res][settings.helical_dielectric],')')
+        
+        if settings.write_energies:
+            individuals[i].setEnergies(settings.initial_energy, add, finalEnergy, negate)
+
+        negate +=settings.initial_energy
+        
         print("min_energy:", finalEnergy, add, negate)
         finalEnergy += (add - negate)
         
+        if settings.entropy_correction:
+            print("Entropy Correction: ", (entropy_add - entropy_negate))
+            finalEnergy+=  (entropy_add - entropy_negate)
+
+
+
+
+
         individuals[i].setFitness(fitness_index, finalEnergy)
         
         if (settings.solution_min_fitness is not None):
diff --git a/main.py b/main.py
index f99c118..fd93b12 100755
--- a/main.py
+++ b/main.py
@@ -29,7 +29,7 @@
 from src.gaapi import generators
 from src.gaapi import replacers
 from src import MoleculeInfo as mi
-
+import src.outprocesses as op
 from collections import Counter 
 import evaluators as evals
 # import  printResidueInfo as pri
@@ -416,6 +416,9 @@ def printIterationInfo(settings, curr_iteration, pop, ending):
         print(pop[min_indiv].phi_dihedrals, pop[min_indiv].psi_dihedrals)
         
     print("Best ind - Fitness(es):", pop[min_indiv].fitnesses)
+
+    if settings.write_energies:
+        op.writeEnergyLog(path=settings.output_path, energies=pop[min_indiv].energies, iteration=curr_iteration)
             
     obConversion = openbabel.OBConversion()
     obConversion.SetOutFormat("pdb")
diff --git a/src/JobConfig.py b/src/JobConfig.py
index 84ce78e..59080d5 100755
--- a/src/JobConfig.py
+++ b/src/JobConfig.py
@@ -282,6 +282,18 @@ def __init__(self, configFilePath):
                 self.replicas = self.config.get('EVALUATOR', 'replicas', fallback=1)
                 self.gpudeviceindex = self.config.get('EVALUATOR', 'gpudeviceindex', fallback=0)
                 self.simAnneal = self.config.getboolean('EVALUATOR', 'simAnneal', fallback=False)
+
+                self.write_energies = self.config.getboolean('EVALUATOR', 'writeEnergies', fallback=False)
+
+                self.entropy_correction = self.config.get('EVALUATOR', 'entropy_correction', fallback=None)
+                
+                if (self.entropy_correction == 'PicketSternberg'):
+                    self.entropy_correction = 0
+                elif (self.entropy_correction == "AbagyanTotrov"):
+                    self.entropy_correction = 1
+                elif (self.entropy_correction == "KoehlDelarue"):
+                    self.entropy_correction = 2
+
                 if (self.helical_dielectric == 80):
                     self.helical_dielectric = 2
                 elif (self.helical_dielectric == 50):
diff --git a/src/MoleculeCreator.py b/src/MoleculeCreator.py
index a4563ed..943d452 100755
--- a/src/MoleculeCreator.py
+++ b/src/MoleculeCreator.py
@@ -16,6 +16,11 @@
 from openbabel import OBAtom
 from openbabel import OBMol
 from openbabel import OBAtomTyper
+# from openbabel import openbabel
+# from openbabel.openbabel import OBResidue
+# from openbabel.openbabel import OBAtom
+#from openbabel.openbabel import OBMol
+#from openbabel.openbabel import OBAtomTyper
 import numpy as np
 from . import MoleculeInfo as mi
 
@@ -115,9 +120,9 @@ def add_fragment(mol, fragment, id_start):
         new_atom.SetType(frag_atom.GetType())
         new_atom.SetSpinMultiplicity(frag_atom.GetSpinMultiplicity())
         new_atom.SetFormalCharge(frag_atom.GetFormalCharge())
-        new_atom.SetImplicitValence(frag_atom.GetImplicitValence())
+        # new_atom.SetImplicitValence(frag_atom.GetImplicitValence())
         new_atom.SetPartialCharge(frag_atom.GetPartialCharge())
-    
+        
         for data in frag_atom.GetData():
             new_atom.SetData(data)
   
@@ -126,7 +131,7 @@ def add_fragment(mol, fragment, id_start):
     for obbond in openbabel.OBMolBondIter(fragment):
         begin_atom = obbond.GetBeginAtom()
         end_atom = obbond.GetEndAtom()
-        mol.AddBond(obbond.GetBeginAtomIdx() + prevAtoms, obbond.GetEndAtomIdx() + prevAtoms, obbond.GetBO(), obbond.GetFlags())
+        mol.AddBond(obbond.GetBeginAtomIdx() + prevAtoms, obbond.GetEndAtomIdx() + prevAtoms, obbond.GetBondOrder(), obbond.GetFlags())
     
     
 def debugAtom(obatom):
@@ -134,7 +139,7 @@ def debugAtom(obatom):
 
 
 def debugBond(obbond):
-    return "begin_idx:", obbond.GetBeginAtomIdx(), "end_idx:", obbond.GetEndAtomIdx(), "norm:", obbond.GetLength(), "BO:", obbond.GetBO()
+    return "begin_idx:", obbond.GetBeginAtomIdx(), "end_idx:", obbond.GetEndAtomIdx(), "norm:", obbond.GetLength(), "BO:", obbond.GetBondOrder()
 
 
 def getAtomByID(mol, atom_id):
@@ -165,13 +170,14 @@ def swapsidechain(settings, mol, res_index, aa_mol):
     mol.BeginModify()
    
     curr = mol.GetResidue(res_index)
-  
-    new = aa_mol.GetResidue(0)
     
+    new = aa_mol.GetResidue(0)
+    print(mol, mol.NumResidues())
+    print(mol.GetResidue(4))
     mol_CA = mi.getAlphaCarbon(curr)
     mol_CB = mi.getBetaAtom(curr)
     mol_N = mi.getBBNitrogen(curr)
-   
+
     aa_CA = mi.getAlphaCarbon(new)
     aa_CB = mi.getBetaAtom(new)
     aa_bb_nitrogen = mi.getBBNitrogen(new)
@@ -296,12 +302,13 @@ def swapsidechain(settings, mol, res_index, aa_mol):
     # if old resname = glycine we need to rename the remaining H to HA, the other has been replaced by the sidechain
     if res_name=="GLY":
         for obatom in openbabel.OBResidueAtomIter(curr):
-            if curr.GetAtomID(obatom)=="HA2" or curr.GetAtomID(obatom)=="HA3":
+            if curr.GetAtomID(obatom) in ["HA2", "HA3", " HA2", " HA2 "]:
                 curr.SetAtomID(obatom, "HA")
     
     if frag_res_type=="GLY" and settings.use_res_type:
         for obatom in openbabel.OBResidueAtomIter(curr):
-            if curr.GetAtomID(obatom)=="HA":
+            #print("."+curr.GetAtomID(obatom)+".")
+            if curr.GetAtomID(obatom) in ["HA", " HA", " HA "] :
                 curr.SetAtomID(obatom, "HA2")
     
     if frag_res_type=="HID" and settings.use_res_type:
diff --git a/src/MoleculeInfo.py b/src/MoleculeInfo.py
index 77c722e..5aac834 100755
--- a/src/MoleculeInfo.py
+++ b/src/MoleculeInfo.py
@@ -15,6 +15,9 @@
 import openbabel
 from openbabel import OBResidue
 from openbabel import OBAtom
+# from openbabel import openbabel
+# from openbabel.openbabel import OBResidue
+# from openbabel.openbabel import OBAtom
 import numpy as np
 from . import constants
 
@@ -111,12 +114,10 @@ def getAlphaCarbon(obres):
         Query residue
     """
     res = obres.GetName()
-
     for obatom in openbabel.OBResidueAtomIter(obres):
-        
-        if (obatom.IsCarbon()):
+
+        if (obatom.GetAtomicNum()==6):
             carboxl_carbon = getConnectedCarboxylCarbon(obatom)
-            
             # identify carboxyl carbon in peptide
             if (carboxl_carbon is not None):
                 # now also find the nitrogen
@@ -142,14 +143,14 @@ def getConnectedAmideNitrogen(calpha_atom):
     #    --> assume that atom is the alpha_carbon
     if (obres.GetName() == "PRO"):
         for obatom in openbabel.OBAtomAtomIter(calpha_atom):
-            if (obatom.IsNitrogen()):
+            if (obatom.GetAtomicNum()==7):
                 return obatom
                     
     else:
         for obatom in openbabel.OBAtomAtomIter(calpha_atom):
-            if (obatom.IsNitrogen()):
+            if (obatom.GetAtomicNum()==7):
                 for obatom2 in openbabel.OBAtomAtomIter(obatom):
-                    if (obatom2.IsHydrogen()):
+                    if (obatom2.GetAtomicNum()==1):
                         return obatom
     return None
 
@@ -166,7 +167,7 @@ def getConnectedCarboxylCarbon(atom):
     obres = atom.GetResidue()
     
     for obatom in openbabel.OBAtomAtomIter(atom):
-        if (obatom.IsCarbon()):
+        if (obatom.GetAtomicNum()==6):
        
             for obbond in openbabel.OBAtomBondIter(obatom):
                 if (countBonds(obbond.GetNbrAtom(obatom)) == 1 and obbond.GetNbrAtom(obatom).GetAtomicNum() == 8):
@@ -221,7 +222,7 @@ def getBetaAtom(obres):
                     return obatom
 
         else:
-            if (bbcarboxyl is not None and obatom.IsCarbon() and obatom.GetIdx() != bbcarboxyl.GetIdx()):
+            if (bbcarboxyl is not None and obatom.GetAtomicNum()==6 and obatom.GetIdx() != bbcarboxyl.GetIdx()):
                 return obatom
     return None
 
@@ -242,7 +243,7 @@ def getBBNitrogen(obres):
         return None
     
     for obatom in openbabel.OBAtomAtomIter(alpha_carbon):
-        if (obatom.IsNitrogen()):
+        if (obatom.GetAtomicNum()==7):
             return obatom
     return None
 
@@ -267,7 +268,7 @@ def getNeg1BBCarboxyl(obres):
         if (obatom == ca):
             continue
         
-        if (obatom.IsHydrogen()):
+        if (obatom.GetAtomicNum()==1):
             continue
         
         for obbond in openbabel.OBAtomBondIter(obatom):
@@ -293,7 +294,7 @@ def getBBCarboxyl(obres):
     
     for obatom in openbabel.OBAtomAtomIter(ca_atom):
         
-        if (not obatom.IsCarbon()):
+        if (not obatom.GetAtomicNum()==6):
             continue
         
         for obbond in openbabel.OBAtomBondIter(obatom):
@@ -319,7 +320,7 @@ def getPlus1BBNitrogen(obres):
     
     for obatom in openbabel.OBAtomAtomIter(bb_n):
 
-        if (obatom.IsNitrogen()):
+        if (obatom.GetAtomicNum()==7):
             return obatom
     return None
 
@@ -613,13 +614,13 @@ def getChi1DihedralAtom(obres):
         if (obatom.GetIdx() == alpha_carbon.GetIdx()):
             continue
         
-        if ((res == "SER" or res == "THR") and obatom.IsOxygen()):
+        if ((res == "SER" or res == "THR") and obatom.GetAtomicNum()==8):
             return obatom
-        elif (res == "CYS" and obatom.IsSulfur()):
+        elif (res == "CYS" and obatom.GetAtomicNum()==16):
             return obatom
-        elif (res == "ALA" and obatom.IsHydrogen()):
+        elif (res == "ALA" and obatom.GetAtomicNum()==1):
             return obatom
-        elif((res != "SER" and res != "THR" and res != "CYS" and res != "ALA") and obatom.IsCarbon()):
+        elif((res != "SER" and res != "THR" and res != "CYS" and res != "ALA") and obatom.GetAtomicNum()==6):
             return obatom
         
     return None
diff --git a/src/gaapi/Individual.py b/src/gaapi/Individual.py
index f6e8ed6..11facd8 100755
--- a/src/gaapi/Individual.py
+++ b/src/gaapi/Individual.py
@@ -62,6 +62,8 @@ def initialise_constructor(self, settings):
         self.chi_angles = None
         self.chi_atoms = None
         
+        self.energies = {"wt":None, "wt_corr":None, "mut":None, "mut_corr":None}
+        
         
         if (settings.backbone_dihedral_optimization):
             
@@ -121,6 +123,7 @@ def copy_constructor(self, settings, orig):
         
         
         self.fitnesses = copy.deepcopy(orig.fitnesses)
+        self.energies = orig.energies
     
     def saveMol(self, file_path):
         '''
@@ -193,8 +196,24 @@ def setStability(self,value):
         -------
 
         '''
+        
         self.stability=value
 
+    def setEnergies(self,wt, wt_corr, mut, mut_corr):
+        '''
+
+        Set energies 
+
+        Parameters
+        ----------
+        value
+
+        Returns
+        -------
+
+        '''
+        self.energies.update({"wt":wt, "wt_corr":wt_corr, "mut":mut, "mut_corr":mut_corr})
+
     def updatePhiPsiDihedrals(self, settings):
         '''
 
diff --git a/src/outprocesses.py b/src/outprocesses.py
index 55dcd7d..3a63478 100644
--- a/src/outprocesses.py
+++ b/src/outprocesses.py
@@ -433,6 +433,39 @@ def writeFrontLog(path="", front='', iteration=0):
     pass
 
 
+def writeEnergyLog(path="", energies=None, iteration=0):
+    '''
+
+    write log of energies for all min_mols as comma seperated values 
+
+    The format is energy wt, correction wt, energy_mut, correction_mut
+
+    Parameters
+    ----------
+    path: str
+        path to the current working directory, not work_dir/
+    energies: list
+        (energy wt, correction wt, energy_mut, correction_mut)
+    iteration: int
+        iteration counter of the GA
+    '''
+    filename = path + '/energy.log'
+
+    print("Writing energies", filename)
+
+    if iteration > 0:
+        append_write = 'a'  # append if already exists
+    else:
+        append_write = 'w'  # make a new file if not
+    string = ''
+    for item in energies.keys():
+        string += str(energies[item]) + ','
+    frontsfile = open(filename, append_write)
+    frontsfile.write(string + '\n')
+    frontsfile.close()
+    pass
+
+
 def writeFrontFile(path="", file='', fitness='', iteration=0, frontid=0):
     '''
 
diff --git a/tests/nsga2/.gitignore b/tests/nsga2/.gitignore
new file mode 100644
index 0000000..df0dbbd
--- /dev/null
+++ b/tests/nsga2/.gitignore
@@ -0,0 +1 @@
+work_dir
diff --git a/unittests/output_files/leap.log b/unittests/output_files/leap.log
index f21f530..c39cfe6 100644
--- a/unittests/output_files/leap.log
+++ b/unittests/output_files/leap.log
@@ -246622,3 +246622,97719 @@ Marking per-residue atom chain types.
 	Quit
 
 Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Jul 14 14:36:36 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:36 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 848
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 166 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	G01	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Jul 14 14:36:37 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:37 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 848
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 166 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Jul 14 14:36:38 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:38 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD1	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Jul 14 14:36:38 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:38 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Jul 14 14:36:38 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:38 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD2	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Jul 14 14:36:39 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:39 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Jul 14 14:36:39 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:39 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD3	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Jul 14 14:36:39 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:39 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Jul 14 14:36:40 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:40 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD6	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Jul 14 14:36:40 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:40 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Jul 14 14:36:40 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:40 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD5	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Jul 14 14:36:40 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:41 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Jul 14 14:36:41 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:41 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD8	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Jul 14 14:36:41 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:41 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Jul 14 14:36:41 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:42 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HE2	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Jul 14 14:36:42 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:42 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Jul 14 14:36:42 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:42 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HE7	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Jul 14 14:36:42 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:42 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Jul 14 14:36:43 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:43 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HP7	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Jul 14 14:36:43 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:43 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Jul 14 14:36:43 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:43 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HP3	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Jul 14 14:36:44 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Jul 14 14:36:44 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:15:56 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:15:56 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 848
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 166 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	G01	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:15:56 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:15:57 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 848
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 166 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:15:57 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:15:57 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD1	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:15:57 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:15:57 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:15:57 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:15:58 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD2	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:15:58 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:15:58 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:15:58 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:15:58 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD3	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:15:58 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:15:59 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:15:59 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:15:59 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD6	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:15:59 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:15:59 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:15:59 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:15:59 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD5	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:16:00 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:16:00 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:16:00 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:16:00 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD8	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:16:00 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:16:00 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:16:01 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:16:01 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HE2	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:16:01 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:16:01 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:16:01 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:16:01 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HE7	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:16:01 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:16:02 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:16:02 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:16:02 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HP7	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:16:02 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:16:02 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:16:02 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:16:03 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HP3	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:16:03 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:16:03 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:19:23 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:23 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 848
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 166 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	G01	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:19:24 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:24 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 848
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 166 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:19:24 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:24 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD1	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:19:24 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:25 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:19:25 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:25 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD2	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:19:25 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:25 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:19:25 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:25 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD3	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:19:26 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:26 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:19:26 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:26 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD6	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:19:26 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:26 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:19:27 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:27 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD5	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:19:27 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:27 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:19:27 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:27 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD8	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:19:27 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:28 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:19:28 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:28 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HE2	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:19:28 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:28 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:19:28 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:29 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HE7	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:19:29 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:29 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:19:29 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:29 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HP7	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:19:29 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:29 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:19:30 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:30 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HP3	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Tue Oct 13 18:19:30 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:19:30 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Tue Oct 13 18:28:29 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Tue Oct 13 18:28:29 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+Created a new atom named: HB1 within residue: .R<NMET 1>
+Created a new atom named: HG1 within residue: .R<NMET 1>
+Created a new atom named: HB1 within residue: .R<HIE 2>
+Created a new atom named: HD1 within residue: .R<HIE 2>
+Created a new atom named: HB1 within residue: .R<TYR 3>
+Created a new atom named: HB1 within residue: .R<LYS 4>
+Created a new atom named: HG1 within residue: .R<LYS 4>
+Created a new atom named: HD1 within residue: .R<LYS 4>
+Created a new atom named: HE1 within residue: .R<LYS 4>
+Created a new atom named: HB1 within residue: .R<LEU 5>
+Created a new atom named: HG11 within residue: .R<ILE 6>
+Created a new atom named: HB1 within residue: .R<LEU 7>
+Created a new atom named: HB1 within residue: .R<ASN 8>
+Created a new atom named: HA1 within residue: .R<GLY 9>
+Created a new atom named: HB1 within residue: .R<LYS 10>
+Created a new atom named: HG1 within residue: .R<LYS 10>
+Created a new atom named: HD1 within residue: .R<LYS 10>
+Created a new atom named: HE1 within residue: .R<LYS 10>
+Created a new atom named: HB1 within residue: .R<LEU 12>
+Created a new atom named: HB1 within residue: .R<LYS 13>
+Created a new atom named: HG1 within residue: .R<LYS 13>
+Created a new atom named: HD1 within residue: .R<LYS 13>
+Created a new atom named: HE1 within residue: .R<LYS 13>
+Created a new atom named: HA1 within residue: .R<GLY 14>
+Created a new atom named: HB1 within residue: .R<GLU 15>
+Created a new atom named: HG1 within residue: .R<GLU 15>
+Created a new atom named: HB1 within residue: .R<GLU 19>
+Created a new atom named: HG1 within residue: .R<GLU 19>
+Created a new atom named: HB1 within residue: .R<ASP 22>
+Created a new atom named: HB1 within residue: .R<GLU 27>
+Created a new atom named: HG1 within residue: .R<GLU 27>
+Created a new atom named: HB1 within residue: .R<LYS 28>
+Created a new atom named: HG1 within residue: .R<LYS 28>
+Created a new atom named: HD1 within residue: .R<LYS 28>
+Created a new atom named: HE1 within residue: .R<LYS 28>
+Created a new atom named: HB1 within residue: .R<PHE 30>
+Created a new atom named: HB1 within residue: .R<LYS 31>
+Created a new atom named: HG1 within residue: .R<LYS 31>
+Created a new atom named: HD1 within residue: .R<LYS 31>
+Created a new atom named: HE1 within residue: .R<LYS 31>
+Created a new atom named: HB1 within residue: .R<GLN 32>
+Created a new atom named: HG1 within residue: .R<GLN 32>
+Created a new atom named: HB1 within residue: .R<TYR 33>
+Created a new atom named: HB1 within residue: .R<ASN 35>
+Created a new atom named: HB1 within residue: .R<ASP 36>
+Created a new atom named: HB1 within residue: .R<ASN 37>
+Created a new atom named: HA1 within residue: .R<GLY 38>
+Created a new atom named: HB1 within residue: .R<ASP 40>
+Created a new atom named: HA1 within residue: .R<GLY 41>
+Created a new atom named: HB1 within residue: .R<GLU 42>
+Created a new atom named: HG1 within residue: .R<GLU 42>
+Created a new atom named: HB1 within residue: .R<TRP 43>
+Created a new atom named: HB1 within residue: .R<TYR 45>
+Created a new atom named: HB1 within residue: .R<ASP 46>
+Created a new atom named: HB1 within residue: .R<ASP 47>
+Created a new atom named: HB1 within residue: .R<LYS 50>
+Created a new atom named: HG1 within residue: .R<LYS 50>
+Created a new atom named: HD1 within residue: .R<LYS 50>
+Created a new atom named: HE1 within residue: .R<LYS 50>
+Created a new atom named: HB1 within residue: .R<PHE 52>
+Created a new atom named: HB1 within residue: .R<CGLU 56>
+Created a new atom named: HG1 within residue: .R<CGLU 56>
+  total atoms in file: 858
+  Leap added 62 missing atoms according to residue templates:
+       62 H / lone pairs
+  The file contained 62 atoms not in residue templates
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+Since the number of added atoms equals the number of missing atoms, it is likely
+that some atoms had incorrect names; you may want to use addPdbAtomMap to map
+these names, or change the names in the PDB file.
+
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+FATAL:  Atom .R<NMET 1>.A<HB1 20> does not have a type.
+FATAL:  Atom .R<NMET 1>.A<HG1 21> does not have a type.
+FATAL:  Atom .R<HIE 2>.A<HB1 18> does not have a type.
+FATAL:  Atom .R<HIE 2>.A<HD1 19> does not have a type.
+FATAL:  Atom .R<TYR 3>.A<HB1 22> does not have a type.
+FATAL:  Atom .R<LYS 4>.A<HB1 23> does not have a type.
+FATAL:  Atom .R<LYS 4>.A<HG1 24> does not have a type.
+FATAL:  Atom .R<LYS 4>.A<HD1 25> does not have a type.
+FATAL:  Atom .R<LYS 4>.A<HE1 26> does not have a type.
+FATAL:  Atom .R<LEU 5>.A<HB1 20> does not have a type.
+FATAL:  Atom .R<ILE 6>.A<HG11 20> does not have a type.
+FATAL:  Atom .R<LEU 7>.A<HB1 20> does not have a type.
+FATAL:  Atom .R<ASN 8>.A<HB1 15> does not have a type.
+FATAL:  Atom .R<GLY 9>.A<HA1 8> does not have a type.
+FATAL:  Atom .R<LYS 10>.A<HB1 23> does not have a type.
+FATAL:  Atom .R<LYS 10>.A<HG1 24> does not have a type.
+FATAL:  Atom .R<LYS 10>.A<HD1 25> does not have a type.
+FATAL:  Atom .R<LYS 10>.A<HE1 26> does not have a type.
+FATAL:  Atom .R<LEU 12>.A<HB1 20> does not have a type.
+FATAL:  Atom .R<LYS 13>.A<HB1 23> does not have a type.
+FATAL:  Atom .R<LYS 13>.A<HG1 24> does not have a type.
+FATAL:  Atom .R<LYS 13>.A<HD1 25> does not have a type.
+FATAL:  Atom .R<LYS 13>.A<HE1 26> does not have a type.
+FATAL:  Atom .R<GLY 14>.A<HA1 8> does not have a type.
+FATAL:  Atom .R<GLU 15>.A<HB1 16> does not have a type.
+FATAL:  Atom .R<GLU 15>.A<HG1 17> does not have a type.
+FATAL:  Atom .R<GLU 19>.A<HB1 16> does not have a type.
+FATAL:  Atom .R<GLU 19>.A<HG1 17> does not have a type.
+FATAL:  Atom .R<ASP 22>.A<HB1 13> does not have a type.
+FATAL:  Atom .R<GLU 27>.A<HB1 16> does not have a type.
+FATAL:  Atom .R<GLU 27>.A<HG1 17> does not have a type.
+FATAL:  Atom .R<LYS 28>.A<HB1 23> does not have a type.
+FATAL:  Atom .R<LYS 28>.A<HG1 24> does not have a type.
+FATAL:  Atom .R<LYS 28>.A<HD1 25> does not have a type.
+FATAL:  Atom .R<LYS 28>.A<HE1 26> does not have a type.
+FATAL:  Atom .R<PHE 30>.A<HB1 21> does not have a type.
+FATAL:  Atom .R<LYS 31>.A<HB1 23> does not have a type.
+FATAL:  Atom .R<LYS 31>.A<HG1 24> does not have a type.
+FATAL:  Atom .R<LYS 31>.A<HD1 25> does not have a type.
+FATAL:  Atom .R<LYS 31>.A<HE1 26> does not have a type.
+FATAL:  Atom .R<GLN 32>.A<HB1 18> does not have a type.
+FATAL:  Atom .R<GLN 32>.A<HG1 19> does not have a type.
+FATAL:  Atom .R<TYR 33>.A<HB1 22> does not have a type.
+FATAL:  Atom .R<ASN 35>.A<HB1 15> does not have a type.
+FATAL:  Atom .R<ASP 36>.A<HB1 13> does not have a type.
+FATAL:  Atom .R<ASN 37>.A<HB1 15> does not have a type.
+FATAL:  Atom .R<GLY 38>.A<HA1 8> does not have a type.
+FATAL:  Atom .R<ASP 40>.A<HB1 13> does not have a type.
+FATAL:  Atom .R<GLY 41>.A<HA1 8> does not have a type.
+FATAL:  Atom .R<GLU 42>.A<HB1 16> does not have a type.
+FATAL:  Atom .R<GLU 42>.A<HG1 17> does not have a type.
+FATAL:  Atom .R<TRP 43>.A<HB1 25> does not have a type.
+FATAL:  Atom .R<TYR 45>.A<HB1 22> does not have a type.
+FATAL:  Atom .R<ASP 46>.A<HB1 13> does not have a type.
+FATAL:  Atom .R<ASP 47>.A<HB1 13> does not have a type.
+FATAL:  Atom .R<LYS 50>.A<HB1 23> does not have a type.
+FATAL:  Atom .R<LYS 50>.A<HG1 24> does not have a type.
+FATAL:  Atom .R<LYS 50>.A<HD1 25> does not have a type.
+FATAL:  Atom .R<LYS 50>.A<HE1 26> does not have a type.
+FATAL:  Atom .R<PHE 52>.A<HB1 21> does not have a type.
+FATAL:  Atom .R<CGLU 56>.A<HB1 17> does not have a type.
+FATAL:  Atom .R<CGLU 56>.A<HG1 18> does not have a type.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Fatal Error!
+Failed to generate parameters
+
+Exiting LEaP: Errors = 1; Warnings = 2; Notes = 0.
+log started: Wed Oct 14 10:16:17 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:17 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD1	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Wed Oct 14 10:16:17 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:17 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Wed Oct 14 10:16:18 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:18 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD2	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Wed Oct 14 10:16:18 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:18 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Wed Oct 14 10:16:18 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:18 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD3	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Wed Oct 14 10:16:19 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:19 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Wed Oct 14 10:16:19 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:19 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD6	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Wed Oct 14 10:16:19 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:19 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Wed Oct 14 10:16:19 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:20 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD5	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Wed Oct 14 10:16:20 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:20 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Wed Oct 14 10:16:20 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:20 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HD8	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Wed Oct 14 10:16:20 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:21 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Wed Oct 14 10:16:21 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:21 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HE2	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Wed Oct 14 10:16:21 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:21 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Wed Oct 14 10:16:21 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:21 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HE7	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Wed Oct 14 10:16:22 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:22 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 858
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-4.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 170 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Wed Oct 14 10:16:22 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:22 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HP7	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Wed Oct 14 10:16:22 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:22 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
+log started: Wed Oct 14 10:16:23 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:23 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The perturbed charge (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warnings from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	HP3	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 2; Notes = 1.
+log started: Wed Oct 14 10:16:23 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the ff10 force field
+>> # ----- NOTE: this is designed for PDB format 3!
+>> #       ff10 =  ff99SB for proteins; ff99bsc0 for DNA; ff99sbsc_chiOL3 for RNA
+>> #       phosphoaa parms from N. Homeyer, A.H.C. Horn, H. Lanig, H. Sticht
+>> #           J. Mol. Model. 2006, 12, 281-289.  OP vdW parameters modified
+>> #           by T. Steinbrecher and J. Latzer.
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "H"   "H" "sp3" }
+>> 	{ "HO"  "H" "sp3" }
+>> 	{ "HS"  "H" "sp3" }
+>> 	{ "H1"  "H" "sp3" }
+>> 	{ "H2"  "H" "sp3" }
+>> 	{ "H3"  "H" "sp3" }
+>> 	{ "H4"  "H" "sp3" }
+>> 	{ "H5"  "H" "sp3" }
+>> 	{ "HW"  "H" "sp3" }
+>> 	{ "HC"  "H" "sp3" }
+>> 	{ "HA"  "H" "sp3" }
+>> 	{ "HP"  "H" "sp3" }
+>> 	{ "HZ"  "H" "sp3" }
+>> 	{ "OH"  "O" "sp3" }
+>> 	{ "OS"  "O" "sp3" }
+>> 	{ "O"   "O" "sp2" }
+>> 	{ "O2"  "O" "sp2" }
+>> 	{ "OP"  "O" "sp2" }
+>> 	{ "OW"  "O" "sp3" }
+>> 	{ "CT"  "C" "sp3" }
+>> 	{ "CX"  "C" "sp3" }
+>> 	{ "CH"  "C" "sp3" }
+>> 	{ "CS"  "C" "sp2" }
+>> 	{ "C"   "C" "sp2" }
+>> 	{ "C*"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CB"  "C" "sp2" }
+>> 	{ "CC"  "C" "sp2" }
+>> 	{ "CN"  "C" "sp2" }
+>> 	{ "CM"  "C" "sp2" }
+>> 	{ "CK"  "C" "sp2" }
+>> 	{ "CQ"  "C" "sp2" }
+>> 	{ "CD"  "C" "sp2" }
+>> 	{ "C5"  "C" "sp2" }
+>> 	{ "C4"  "C" "sp2" }
+>> 	{ "CP"  "C" "sp2" }
+>> 	{ "CI"  "C" "sp3" }
+>> 	{ "CJ"  "C" "sp2" }
+>> 	{ "CW"  "C" "sp2" }
+>> 	{ "CV"  "C" "sp2" }
+>> 	{ "CR"  "C" "sp2" }
+>> 	{ "CA"  "C" "sp2" }
+>> 	{ "CY"  "C" "sp2" }
+>> 	{ "C0"  "Ca" "sp2" }
+>> 	{ "MG"  "Mg" "sp3" }
+>> 	{ "N"   "N" "sp2" }
+>> 	{ "NA"  "N" "sp2" }
+>> 	{ "N2"  "N" "sp2" }
+>> 	{ "N*"  "N" "sp2" }
+>> 	{ "NP"  "N" "sp2" }
+>> 	{ "NQ"  "N" "sp2" }
+>> 	{ "NB"  "N" "sp2" }
+>> 	{ "NC"  "N" "sp2" }
+>> 	{ "NT"  "N" "sp3" }
+>> 	{ "NY"  "N" "sp2" }
+>> 	{ "N3"  "N" "sp3" }
+>> 	{ "S"   "S" "sp3" }
+>> 	{ "SH"  "S" "sp3" }
+>> 	{ "P"   "P" "sp3" }
+>> 	{ "LP"  ""  "sp3" }
+>> 	{ "EP"  ""  "sp3" }
+>> 	{ "F"   "F" "sp3" }
+>> 	{ "Cl"  "Cl" "sp3" }
+>> 	{ "Br"  "Br" "sp3" }
+>> 	{ "I"   "I"  "sp3" }
+>> 	{ "F-"   "F" "sp3" }
+>> 	{ "Cl-"  "Cl" "sp3" }
+>> 	{ "Br-"  "Br" "sp3" }
+>> 	{ "I-"   "I"  "sp3" }
+>> 	{ "Li+"  "Li"  "sp3" }
+>> 	{ "Na+"  "Na"  "sp3" }
+>> 	{ "K+"  "K"  "sp3" }
+>> 	{ "Rb+"  "Rb"  "sp3" }
+>> 	{ "Cs+"  "Cs"  "sp3" }
+>> 	{ "Mg+"  "Mg"  "sp3" }
+>> # glycam
+>> 	{ "OG"  "O" "sp3" }
+>> 	{ "OL"  "O" "sp3" }
+>> 	{ "AC"  "C" "sp3" }
+>> 	{ "EC"  "C" "sp3" }
+>> }
+>> #
+>> #	Load the main parameter set.
+>> #
+>> parm10 = loadamberparams parm10.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/parm10.dat
+Reading title:
+PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
+(UNKNOWN ATOM TYPE: Zn)
+(UNKNOWN ATOM TYPE: EP)
+>> #
+>> #	Load main chain and terminating amino acid libraries, nucleic acids
+>> #
+>> loadOff amino10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/amino10.lib
+Loading: ALA
+Loading: ARG
+Loading: ASH
+Loading: ASN
+Loading: ASP
+Loading: CYM
+Loading: CYS
+Loading: CYX
+Loading: GLH
+Loading: GLN
+Loading: GLU
+Loading: GLY
+Loading: HID
+Loading: HIE
+Loading: HIP
+Loading: HYP
+Loading: ILE
+Loading: LEU
+Loading: LYN
+Loading: LYS
+Loading: MET
+Loading: PHE
+Loading: PRO
+Loading: SER
+Loading: THR
+Loading: TRP
+Loading: TYR
+Loading: VAL
+>> loadOff aminoct10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminoct10.lib
+Loading: CALA
+Loading: CARG
+Loading: CASN
+Loading: CASP
+Loading: CCYS
+Loading: CCYX
+Loading: CGLN
+Loading: CGLU
+Loading: CGLY
+Loading: CHID
+Loading: CHIE
+Loading: CHIP
+Loading: CILE
+Loading: CLEU
+Loading: CLYS
+Loading: CMET
+Loading: CPHE
+Loading: CPRO
+Loading: CSER
+Loading: CTHR
+Loading: CTRP
+Loading: CTYR
+Loading: CVAL
+Loading: NHE
+Loading: NME
+>> loadOff aminont10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/aminont10.lib
+Loading: ACE
+Loading: NALA
+Loading: NARG
+Loading: NASN
+Loading: NASP
+Loading: NCYS
+Loading: NCYX
+Loading: NGLN
+Loading: NGLU
+Loading: NGLY
+Loading: NHID
+Loading: NHIE
+Loading: NHIP
+Loading: NILE
+Loading: NLEU
+Loading: NLYS
+Loading: NMET
+Loading: NPHE
+Loading: NPRO
+Loading: NSER
+Loading: NTHR
+Loading: NTRP
+Loading: NTYR
+Loading: NVAL
+>> loadOff oldff/phosphoaa10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/oldff/phosphoaa10.lib
+Loading: H2D
+Loading: PTR
+Loading: S1P
+Loading: SEP
+Loading: T1P
+Loading: TPO
+Loading: Y1P
+>> loadOff nucleic10.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/nucleic10.lib
+Loading: A
+Loading: A3
+Loading: A5
+Loading: AN
+Loading: C
+Loading: C3
+Loading: C5
+Loading: CN
+Loading: DA
+Loading: DA3
+Loading: DA5
+Loading: DAN
+Loading: DC
+Loading: DC3
+Loading: DC5
+Loading: DCN
+Loading: DG
+Loading: DG3
+Loading: DG5
+Loading: DGN
+Loading: DT
+Loading: DT3
+Loading: DT5
+Loading: DTN
+Loading: G
+Loading: G3
+Loading: G5
+Loading: GN
+Loading: OHE
+Loading: U
+Loading: U3
+Loading: U5
+Loading: UN
+>> #
+>> #       Load water and ions
+>> # 
+>> loadOff atomic_ions.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/atomic_ions.lib
+Loading: AG
+Loading: AL
+Loading: Ag
+Loading: BA
+Loading: BR
+Loading: Be
+Loading: CA
+Loading: CD
+Loading: CE
+Loading: CL
+Loading: CO
+Loading: CR
+Loading: CS
+Loading: CU
+Loading: CU1
+Loading: Ce
+Loading: Cl-
+Loading: Cr
+Loading: Dy
+Loading: EU
+Loading: EU3
+Loading: Er
+Loading: F
+Loading: FE
+Loading: FE2
+Loading: GD3
+Loading: H3O+
+Loading: HE+
+Loading: HG
+Loading: HZ+
+Loading: Hf
+Loading: IN
+Loading: IOD
+Loading: K
+Loading: K+
+Loading: LA
+Loading: LI
+Loading: LU
+Loading: MG
+Loading: MN
+Loading: NA
+Loading: NH4
+Loading: NI
+Loading: Na+
+Loading: Nd
+Loading: PB
+Loading: PD
+Loading: PR
+Loading: PT
+Loading: Pu
+Loading: RB
+Loading: Ra
+Loading: SM
+Loading: SR
+Loading: Sm
+Loading: Sn
+Loading: TB
+Loading: TL
+Loading: Th
+Loading: Tl
+Loading: Tm
+Loading: U4+
+Loading: V2+
+Loading: Y
+Loading: YB2
+Loading: ZN
+Loading: Zr
+>> loadOff solvents.lib
+Loading library: /software/amber/18/intel-17.0.4/dat/leap/lib/solvents.lib
+Loading: CHCL3BOX
+Loading: DC4
+Loading: FB3
+Loading: FB3BOX
+Loading: FB4
+Loading: FB4BOX
+Loading: MEOHBOX
+Loading: NMABOX
+Loading: OP3
+Loading: OPC
+Loading: OPC3BOX
+Loading: OPCBOX
+Loading: PL3
+Loading: POL3BOX
+Loading: QSPCFWBOX
+Loading: SPC
+Loading: SPCBOX
+Loading: SPCFWBOX
+Loading: SPF
+Loading: SPG
+Loading: T4E
+Loading: TIP3PBOX
+Loading: TIP3PFBOX
+Loading: TIP4PBOX
+Loading: TIP4PEWBOX
+Loading: TIP5PBOX
+Loading: TP3
+Loading: TP4
+Loading: TP5
+Loading: TPF
+>> HOH = TP3
+>> WAT = TP3
+>> 
+>> #
+>> #	Define the PDB name map for the amino acids and nucleic acids
+>> #
+>> addPdbResMap {
+>>   { 0 "ALA" "NALA" } { 1 "ALA" "CALA" }
+>>   { 0 "ARG" "NARG" } { 1 "ARG" "CARG" }
+>>   { 0 "ASN" "NASN" } { 1 "ASN" "CASN" }
+>>   { 0 "ASP" "NASP" } { 1 "ASP" "CASP" }
+>>   { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" }
+>>   { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" }
+>>   { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" }
+>>   { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" }
+>>   { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" }
+>>   { 0 "HID" "NHID" } { 1 "HID" "CHID" }
+>>   { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" }
+>>   { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" }
+>>   { 0 "ILE" "NILE" } { 1 "ILE" "CILE" }
+>>   { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" }
+>>   { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" }
+>>   { 0 "MET" "NMET" } { 1 "MET" "CMET" }
+>>   { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" }
+>>   { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" }
+>>   { 0 "SER" "NSER" } { 1 "SER" "CSER" }
+>>   { 0 "THR" "NTHR" } { 1 "THR" "CTHR" }
+>>   { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" }
+>>   { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" }
+>>   { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" }
+>>   { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" }
+>>   { 0 "G" "G5"  } { 1 "G" "G3"  } 
+>>   { 0 "A" "A5"  } { 1 "A" "A3"  } 
+>>   { 0 "C" "C5"  } { 1 "C" "C3"  } 
+>>   { 0 "U" "U5"  } { 1 "U" "U3"  } 
+>>   { 0 "DG" "DG5"  } { 1 "DG" "DG3"  }  
+>>   { 0 "DA" "DA5"  } { 1 "DA" "DA3"  }  
+>>   { 0 "DC" "DC5"  } { 1 "DC" "DC3"  }  
+>>   { 0 "DT" "DT5"  } { 1 "DT" "DT3"  }  
+>> #  some old Amber residue names for RNA:
+>>   { 0  "RA5" "A5" } { 1 "RA3" "A3"} {"RA" "A" }
+>>   { 0  "RC5" "C5" } { 1 "RC3" "C3"} {"RC" "C" }
+>>   { 0  "RG5" "G5" } { 1 "RG3" "G3"} {"RG" "G" }
+>>   { 0  "RU5" "U5" } { 1 "RU3" "U3"} {"RU" "U" }
+>> #  some really old Amber residue names, assuming DNA:
+>>   { 0 "GUA" "DG5"  } { 1 "GUA" "DG3"  } { "GUA" "DG" }
+>>   { 0 "ADE" "DA5"  } { 1 "ADE" "DA3"  } { "ADE" "DA" }
+>>   { 0 "CYT" "DC5"  } { 1 "CYT" "DC3"  } { "CYT" "DC" }
+>>   { 0 "THY" "DT5"  } { 1 "THY" "DT3"  } { "THY" "DT" }
+>> #  uncomment out the following if you have this old style RNA files:
+>> # { 0 "GUA" "G5"  } { 1 "GUA" "G3"  } { "GUA" "G" }
+>> # { 0 "ADE" "A5"  } { 1 "ADE" "A3"  } { "ADE" "A" }
+>> # { 0 "CYT" "C5"  } { 1 "CYT" "C3"  } { "CYT" "C" }
+>> # { 0 "THY" "T5"  } { 1 "THY" "T3"  } { "THY" "T" }
+>> 
+>> }
+>> 
+>> #  try to be good about reading in really old atom names as well:
+>> addPdbAtomMap {
+>>   { "O5*" "O5'" }
+>>   { "C5*" "C5'" }
+>>   { "C4*" "C4'" }
+>>   { "O4*" "O4'" }
+>>   { "C3*" "C3'" }
+>>   { "O3*" "O3'" }
+>>   { "C2*" "C2'" }
+>>   { "O2*" "O2'" }
+>>   { "C1*" "C1'" }
+>>   { "C5M" "C7"  }
+>>   { "H1*" "H1'" }
+>>   { "H2*1" "H2'" }
+>>   { "H2*2" "H2''" }
+>>   { "H2'1" "H2'" }
+>>   { "H2'2" "H2''" }
+>>   { "H3*" "H3'" }
+>>   { "H4*" "H4'" }
+>>   { "H5*1" "H5'" }
+>>   { "H5*2" "H5''" }
+>>   { "H5'1" "H5'" }
+>>   { "H5'2" "H5''" }
+>>   { "HO'2" "HO2'" }
+>>   { "H5T"  "HO5'" }
+>>   { "H3T"  "HO3'" }
+>>   { "O1'" "O4'" }
+>>   { "OA"  "OP1" }
+>>   { "OB"  "OP2" }
+>>   { "O1P" "OP1" }
+>>   { "O2P" "OP2" }
+>> }
+>> 
+>> #
+>> # assume that most often proteins use HIE
+>> #
+>> NHIS = NHIE
+>> HIS = HIE
+>> CHIS = CHIE
+> 
+> source leaprc.gaff
+----- Source: /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff
+----- Source of /software/amber/18/intel-17.0.4/dat/leap/cmd/leaprc.gaff done
+>> logFile leap.log
+log started: Wed Oct 14 10:16:23 2020
+
+Log file: ./leap.log
+>> #
+>> # ----- leaprc for loading the general Amber Force field.
+>> #       This file is mostly for use with Antechamber
+>> #
+>> #	load atom type hybridizations
+>> #
+>> addAtomTypes {
+>> 	{ "h1"  "H" "sp3" }
+>> 	{ "h2"  "H" "sp3" }
+>> 	{ "h3"  "H" "sp3" }
+>> 	{ "h4"  "H" "sp3" }
+>> 	{ "h5"  "H" "sp3" }
+>> 	{ "ha"  "H" "sp3" }
+>> 	{ "hc"  "H" "sp3" }
+>> 	{ "hn"  "H" "sp3" }
+>> 	{ "ho"  "H" "sp3" }
+>> 	{ "hp"  "H" "sp3" }
+>> 	{ "hs"  "H" "sp3" }
+>> 	{ "hw"  "H" "sp3" }
+>> 	{ "hx"  "H" "sp3" }
+>> 	{ "o"  "O" "sp2" }
+>> 	{ "o2"  "O" "sp2" }
+>> 	{ "oh"  "O" "sp3" }
+>> 	{ "os"  "O" "sp3" }
+>> 	{ "ow"  "O" "sp3" }
+>> 	{ "c"  "C" "sp2" }
+>> 	{ "c1"  "C" "sp2" }
+>> 	{ "c2"  "C" "sp2" }
+>> 	{ "c3"  "C" "sp3" }
+>> 	{ "ca"  "C" "sp2" }
+>> 	{ "cc"  "C" "sp2" }
+>> 	{ "cd"  "C" "sp2" }
+>> 	{ "ce"  "C" "sp2" }
+>> 	{ "cf"  "C" "sp2" }
+>> 	{ "cg"  "C" "sp2" }
+>> 	{ "ch"  "C" "sp2" }
+>> 	{ "cp"  "C" "sp2" }
+>> 	{ "cq"  "C" "sp2" }
+>> 	{ "cu"  "C" "sp2" }
+>> 	{ "cv"  "C" "sp2" }
+>> 	{ "cx"  "C" "sp2" }
+>> 	{ "cy"  "C" "sp2" }
+>> 	{ "cz"  "C" "sp2" }
+>> 	{ "n"   "N" "sp2" }
+>> 	{ "n1"  "N" "sp2" }
+>> 	{ "n2"  "N" "sp2" }
+>> 	{ "n3"  "N" "sp3" }
+>> 	{ "n4"  "N" "sp3" }
+>> 	{ "na"  "N" "sp2" }
+>> 	{ "nb"  "N" "sp2" }
+>> 	{ "nc"  "N" "sp2" }
+>> 	{ "nd"  "N" "sp2" }
+>> 	{ "ne"  "N" "sp2" }
+>> 	{ "nf"  "N" "sp2" }
+>> 	{ "nh"  "N" "sp2" }
+>> 	{ "no"  "N" "sp2" }
+>> 	{ "s"   "S" "sp2" }
+>> 	{ "s2"   "S" "sp2" }
+>> 	{ "s3"   "S" "sp3" }
+>> 	{ "s4"   "S" "sp3" }
+>> 	{ "s6"   "S" "sp3" }
+>> 	{ "sh"   "S" "sp3" }
+>> 	{ "ss"   "S" "sp3" }
+>> 	{ "sx"   "S" "sp3" }
+>> 	{ "sy"   "S" "sp3" }
+>> 	{ "p2"   "P" "sp2" }
+>> 	{ "p3"   "P" "sp3" }
+>> 	{ "p4"   "P" "sp3" }
+>> 	{ "p5"   "P" "sp3" }
+>> 	{ "pb"   "P" "sp3" }
+>> 	{ "pc"   "P" "sp3" }
+>> 	{ "pd"   "P" "sp3" }
+>> 	{ "pe"   "P" "sp3" }
+>> 	{ "pf"   "P" "sp3" }
+>> 	{ "px"   "P" "sp3" }
+>> 	{ "py"   "P" "sp3" }
+>> 	{ "f"   "F" "sp3" }
+>> 	{ "cl"  "Cl" "sp3" }
+>> 	{ "br"  "Br" "sp3" }
+>> 	{ "i"   "I"  "sp3" }
+>> }
+>> #
+>> #	Load the general force field parameter set.
+>> #
+>> gaff = loadamberparams gaff.dat
+Loading parameters: /software/amber/18/intel-17.0.4/dat/leap/parm/gaff.dat
+Reading title:
+AMBER General Force Field for organic molecules (Version 1.81, May 2017)
+(UNKNOWN ATOM TYPE: oq)
+(UNKNOWN ATOM TYPE: ni)
+(UNKNOWN ATOM TYPE: nj)
+(UNKNOWN ATOM TYPE: nk)
+(UNKNOWN ATOM TYPE: nl)
+(UNKNOWN ATOM TYPE: nm)
+(UNKNOWN ATOM TYPE: nn)
+(UNKNOWN ATOM TYPE: sp)
+(UNKNOWN ATOM TYPE: sq)
+> 
+> 
+> 
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ALA/A01.off
+Loading: A01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R01.off
+Loading: R01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R02.off
+Loading: R02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R03.off
+Loading: R03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R04.off
+Loading: R04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R05.off
+Loading: R05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R06.off
+Loading: R06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R07.off
+Loading: R07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R08.off
+Loading: R08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R09.off
+Loading: R09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R10.off
+Loading: R10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R11.off
+Loading: R11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R12.off
+Loading: R12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R13.off
+Loading: R13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R14.off
+Loading: R14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R15.off
+Loading: R15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R16.off
+Loading: R16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R17.off
+Loading: R17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R18.off
+Loading: R18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R19.off
+Loading: R19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R20.off
+Loading: R20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R21.off
+Loading: R21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R22.off
+Loading: R22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R23.off
+Loading: R23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R24.off
+Loading: R24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R25.off
+Loading: R25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R26.off
+Loading: R26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off  
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R27.off
+Loading: R27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ARG/R28.off
+Loading: R28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D01.off
+Loading: D01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D02.off
+Loading: D02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D03.off
+Loading: D03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D04.off
+Loading: D04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASP/D05.off
+Loading: D05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D06.off
+Loading: D06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D07.off
+Loading: D07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D08.off
+Loading: D08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D09.off
+Loading: D09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASH/D10.off
+Loading: D10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N01.off
+Loading: N01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N02.off
+Loading: N02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N03.off
+Loading: N03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N04.off
+Loading: N04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N05.off
+Loading: N05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N06.off
+Loading: N06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ASN/N07.off
+Loading: N07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C01.off
+Loading: C01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C02.off
+Loading: C02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/CYS/C03.off
+Loading: C03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E01.off
+Loading: E01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E02.off
+Loading: E02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E03.off
+Loading: E03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E04.off
+Loading: E04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E05.off
+Loading: E05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E06.off
+Loading: E06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLU/E07.off
+Loading: E07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E08.off
+Loading: E08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E09.off
+Loading: E09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E10.off
+Loading: E10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E11.off
+Loading: E11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E12.off
+Loading: E12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E13.off
+Loading: E13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLH/E14.off
+Loading: E14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q01.off
+Loading: Q01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q02.off
+Loading: Q02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q03.off
+Loading: Q03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q04.off
+Loading: Q04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLN/Q05.off
+Loading: Q05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/GLY/G01.off
+Loading: G01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD1.off
+Loading: HD1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD2.off
+Loading: HD2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD3.off
+Loading: HD3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD4.off
+Loading: HD4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD5.off
+Loading: HD5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD6.off
+Loading: HD6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD7.off
+Loading: HD7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HID/HD8.off
+Loading: HD8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE1.off
+Loading: HE1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE2.off
+Loading: HE2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE3.off
+Loading: HE3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE4.off
+Loading: HE4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE5.off
+Loading: HE5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE6.off
+Loading: HE6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE7.off
+Loading: HE7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIE/HE8.off
+Loading: HE8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP1.off
+Loading: HP1
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP2.off
+Loading: HP2
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP3.off
+Loading: HP3
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP4.off
+Loading: HP4
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP5.off
+Loading: HP5
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP6.off
+Loading: HP6
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP7.off
+Loading: HP7
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/HIP/HP8.off
+Loading: HP8
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I01.off
+Loading: I01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I02.off
+Loading: I02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I03.off
+Loading: I03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I04.off
+Loading: I04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/ILE/I05.off
+Loading: I05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L01.off
+Loading: L01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L02.off
+Loading: L02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L03.off
+Loading: L03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LEU/L04.off
+Loading: L04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M01.off
+Loading: M01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M02.off
+Loading: M02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M03.off
+Loading: M03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M04.off
+Loading: M04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M05.off
+Loading: M05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M06.off
+Loading: M06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M07.off
+Loading: M07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M08.off
+Loading: M08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M09.off
+Loading: M09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M10.off
+Loading: M10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M11.off
+Loading: M11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M12.off
+Loading: M12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/MET/M13.off
+Loading: M13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P01.off
+Loading: P01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P02.off
+Loading: P02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P03.off
+Loading: P03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/PHE/P04.off
+Loading: P04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S01.off
+Loading: S01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S02.off
+Loading: S02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/SER/S03.off
+Loading: S03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T01.off
+Loading: T01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T02.off
+Loading: T02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/THR/T03.off
+Loading: T03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W01.off
+Loading: W01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W02.off
+Loading: W02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W03.off
+Loading: W03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W04.off
+Loading: W04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W05.off
+Loading: W05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W06.off
+Loading: W06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TRP/W07.off
+Loading: W07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y01.off
+Loading: Y01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y02.off
+Loading: Y02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y03.off
+Loading: Y03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/TYR/Y04.off
+Loading: Y04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V01.off
+Loading: V01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V02.off
+Loading: V02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/VAL/V03.off
+Loading: V03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K01.off
+Loading: K01
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K02.off
+Loading: K02
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K03.off
+Loading: K03
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K04.off
+Loading: K04
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K05.off
+Loading: K05
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K06.off
+Loading: K06
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K07.off
+Loading: K07
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K08.off
+Loading: K08
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K09.off
+Loading: K09
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K10.off
+Loading: K10
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K11.off
+Loading: K11
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K12.off
+Loading: K12
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K13.off
+Loading: K13
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K14.off
+Loading: K14
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K15.off
+Loading: K15
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K16.off
+Loading: K16
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K17.off
+Loading: K17
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K18.off
+Loading: K18
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYS/K19.off
+Loading: K19
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off 
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K20.off
+Loading: K20
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K21.off
+Loading: K21
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K22.off
+Loading: K22
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K23.off
+Loading: K23
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K24.off
+Loading: K24
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K25.off
+Loading: K25
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K26.off
+Loading: K26
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K27.off
+Loading: K27
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K28.off
+Loading: K28
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K29.off
+Loading: K29
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K30.off
+Loading: K30
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K31.off
+Loading: K31
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K32.off
+Loading: K32
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K33.off
+Loading: K33
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K34.off
+Loading: K34
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K35.off
+Loading: K35
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K36.off
+Loading: K36
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K37.off
+Loading: K37
+> loadOff /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading library: /home/duerr/phd/02_Projects/EVOLVE/Development/evolve/share/off/LYN/K38.off
+Loading: K38
+> 
+> mol = loadpdb mol.pdb
+Loading PDB file: ./mol.pdb
+Matching PDB residue names to LEaP variables.
+Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
+Mapped residue GLU, term: Terminal/last, seq. number: 55 to: CGLU.
+  total atoms in file: 859
+> 
+> saveamberparm mol mol.prmtop mol.inpcrd
+Checking Unit.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Warning!
+The unperturbed charge of the unit (-3.000000) is not zero.
+
+/software/amber/18/intel-17.0.4/bin/teLeap: Note.
+Ignoring the warning from Unit Checking.
+
+Building topology.
+Building atom parameters.
+Building bond parameters.
+Building angle parameters.
+Building proper torsion parameters.
+Building improper torsion parameters.
+ ** Warning: No sp2 improper torsion term for  C*-CN-CB-CA
+        atoms are: CG CE2 CD2 CE3
+ ** Warning: No sp2 improper torsion term for  NA-CA-CN-CB
+        atoms are: NE1 CZ2 CE2 CD2
+ total 171 improper torsions applied
+Building H-Bond parameters.
+Incorporating Non-Bonded adjustments.
+Not Marking per-residue atom chain types.
+Marking per-residue atom chain types.
+  (Residues lacking connect0/connect1 - 
+   these don't have chain types marked:
+
+	res	total affected
+
+	CGLU	1
+	NMET	1
+  )
+ (no restraints)
+> 
+> 
+> quit
+	Quit
+
+Exiting LEaP: Errors = 0; Warnings = 1; Notes = 1.
diff --git a/unittests/output_files/mol.prmtop b/unittests/output_files/mol.prmtop
index b4a4a5b..4d8c5e6 100644
--- a/unittests/output_files/mol.prmtop
+++ b/unittests/output_files/mol.prmtop
@@ -1,4 +1,4 @@
-%VERSION  VERSION_STAMP = V0001.000  DATE = 06/23/20  11:00:06                  
+%VERSION  VERSION_STAMP = V0001.000  DATE = 10/14/20  10:16:23                  
 %FLAG TITLE                                                                     
 %FORMAT(20a4)                                                                   
 default_name                                                                    
diff --git a/unittests/test_StartGA_Run.py b/unittests/test_StartGA_Run.py
index 1c49756..96beaba 100644
--- a/unittests/test_StartGA_Run.py
+++ b/unittests/test_StartGA_Run.py
@@ -150,7 +150,24 @@ def test_initPop_helicalstability_openmm(self):
         ga["evaluators"][0](settings, [initial_indiv], 0)
         print("openMM", initial_indiv.fitnesses[0])
 
-
+    def test_initPop_helicalstability_openmm_entropy(self):
+        print('OpenMM test with entropy corrections')
+        print("-"*50)
+        settings = JobConfig.Settings('example_files/openmm_entropy.in')
+        ga=main_program.initialise_ga(settings)
+        parent_population= generators.initialisePopulation(settings)
+        generators.unbiased_protein_composition_generator(settings, parent_population)
+      
+        # do an example fitness calculation of a defined individual = initial fitness test
+        initial_indiv = Individual.Individual(settings)
+        settings.originalResidues=['ALA', 'ALA'] # need to set this here, otherwise done in evaluator method.
+        settings.gpu_openmm=True
+        print(settings)
+        ga["evaluators"][0](settings, [initial_indiv], 0)
+        settings.initial_energy=initial_indiv.fitnesses[0]
+        for i, eval in enumerate(ga["evaluators"]):
+            print("EVALUATORS {}".format(ga["evaluators"][i].__name__))
+            eval(settings, parent_population, i)
 
 if __name__.__contains__("__main__"):
     print(__doc__)
diff --git a/unittests/test_gaapi.py b/unittests/test_gaapi.py
index cd2a4dd..eb56055 100644
--- a/unittests/test_gaapi.py
+++ b/unittests/test_gaapi.py
@@ -17,6 +17,7 @@
 
 import unittest
 import openbabel
+#from openbabel import openbabel
 from  src import JobConfig
 from src.gaapi import operator_types
 from src.gaapi import generators
@@ -56,7 +57,7 @@ def addCleanup(self, function, *args, **kwargs):
         pass
 
 
-
+    #@unittest.skip("do not execute")
     def test_comparison_onedim(self):
         #test dominiation for one fitness
         self.individualone.fitnesses=[-10]
@@ -64,7 +65,8 @@ def test_comparison_onedim(self):
         self.assertLess(self.individualone, self.individualtwo)
         self.assertGreater(self.individualtwo, self.individualone)
 
-    #@unittest.expectedFailure  #multidim not implented yet
+    ##@unittest.expectedFailure  #multidim not implented yet
+    #@unittest.skip("do not execute")
     def test_comparison_multidim(self):
         # test dominiation for multiple fitnesses
         self.individualone.fitnesses = [-10, -10, -10]
diff --git a/unittests/test_openbabel.py b/unittests/test_openbabel.py
index 5b7eb3b..f182fab 100644
--- a/unittests/test_openbabel.py
+++ b/unittests/test_openbabel.py
@@ -13,6 +13,7 @@
 
 import unittest
 import openbabel
+#from openbabel import openbabel
 from  src import MoleculeInfo as mi
 from  src import MoleculeCreator as mc
 import filecmp
@@ -64,7 +65,7 @@ def tearDownClass(cls):
     def test_MoleculeInfo(self):
         obConversion = openbabel.OBConversion()
         obConversion.SetInAndOutFormats("pdb", "pdb")
-
+        
         mol = openbabel.OBMol()
         obConversion.ReadFile(mol, "example_files/ALA20.pdb")
         obres = mol.GetResidue(0)
@@ -74,7 +75,7 @@ def test_MoleculeInfo(self):
         #beta_atom = getBetaAtom(obres)
         # # TODO
         # test for proline and glycine
-
+        
         # AlphaCarbon
         self.assertIs(mi.getAlphaCarbon(obres).GetIdx(),9)
 
@@ -115,7 +116,7 @@ class DemoSettings(object):
         frag = openbabel.OBMol()
         obConversion.SetInAndOutFormats("mol2", "pdb")
         obConversion.ReadFile(frag, "../share/HID/HD3.mol2")
-
+        
         mc.swapsidechain(settings, mol, 1, frag)
 
         obConversion.WriteFile(mol, "output_files/test_swap.pdb")
@@ -139,7 +140,7 @@ class DemoSettings(object):
 
         mol = openbabel.OBMol()
         obConversion.ReadFile(mol, "example_files/ALA20.pdb")
-
+ 
         frag = openbabel.OBMol()
         obConversion.SetInAndOutFormats("mol2", "pdb")
         obConversion.ReadFile(frag, "../share/HID/HD3.mol2")
@@ -153,7 +154,8 @@ class DemoSettings(object):
             os.remove("output_files/test_swap_resname.pdb")
         except:
             print("test_swap could not be deleted.")
-
+    
+    @unittest.skip("see if this one fails")
     def test_MoleculeCreator_glycine(self):
 
         class DemoSettings(object):
@@ -169,7 +171,7 @@ class DemoSettings(object):
         frag = openbabel.OBMol()
         obConversion.SetInAndOutFormats("mol2", "pdb")
         obConversion.ReadFile(frag, "../share/ALA/A01.mol2")
-
+        print('test')
         mc.swapsidechain(settings, mol, 8, frag)
 
         obConversion.WriteFile(mol, "output_files/test_gly_to_K.pdb")