xtcreader on open go to load frame 1

MDAnalysis · Oct 30, 2015 · 3bd46ae · 3bd46ae
1 parent e612fa8
commit 3bd46ae
Showing 1 changed file with 5 additions and 2 deletions.
diff --git a/package/MDAnalysis/coordinates/XTC.py b/package/MDAnalysis/coordinates/XTC.py
@@ -27,7 +27,6 @@ def __init__(self, filename, convert_units=True, sub=None, **kwargs):
             self.n_atoms = len(sub)
         else:
             self.n_atoms = self.xtc.n_atoms
-        self.xtc.seek(0)
 
         self.ts = self._Timestep(self.n_atoms, **self._ts_kwargs)
         self.ts.frame = 0  # 0-based frame number as starting frame
@@ -43,6 +42,8 @@ def __init__(self, filename, convert_units=True, sub=None, **kwargs):
             self.convert_pos_from_native(self.ts._pos)
             self.convert_pos_from_native(self.ts._unitcell[:3])
 
+        self.rewind()
+
     def close(self):
         self.xtc.close()
 
@@ -58,7 +59,9 @@ def rewind(self):
         self._read_frame(0)
 
     def _reopen(self):
-        self._read_frame(0)
+        self.ts.frame = 0
+        self._frame = -1
+        self.xtc.seek(0)
 
     def _read_frame(self, i):
         self.xtc.seek(i)