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Published 20 hours ago • verified publisher icon MobleyLab

Additions to YAML configuration file

Open nathanmlim opened this issue 7 years ago • 0 comments
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After PR #117 some things that I'd like to be added to the YAML file are:

  • [ ] Configuring the move type
  • [ ] Loading a parmed.Structure embedded on an OEMolecule
  • [ ] Documentation on the parameters in the YAML file itself

nathanmlim avatar Jun 15 '18 21:06 nathanmlim