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Amber2Gromacs workflow

Dependency I used:

  • GNU bash, version 5.1.12
  • gsed (equiv. GNU sed)
  • gmx, version 2021.3
  • ACPYPE v. 2022.1.3 (c)
  • ambertools 21.7 conda-forge
  • pdb4amber 20.1 pypi

Test Environment

  • M1 mac

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