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Additions to YAML configuration file #127

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nathanmlim opened this issue Jun 15, 2018 · 0 comments
Open
3 tasks

Additions to YAML configuration file #127

nathanmlim opened this issue Jun 15, 2018 · 0 comments
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enhancement

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@nathanmlim
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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
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