Ecosyste.ms: Issues

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GitHub / martimunicoy/peleffy issues and pull requests

#78 - Integrate method for the OPLS OBC parameters

Issue - State: closed - Opened by martimunicoy almost 4 years ago - 4 comments
Labels: enhancement

#77 - Check out input PDB files prior parameterizing

Issue - State: closed - Opened by martimunicoy almost 4 years ago - 2 comments
Labels: enhancement, good first issue

#76 - Missing charge module in conda package

Issue - State: closed - Opened by cescgina almost 4 years ago
Labels: bug

#73 - OPLS2005 would not keep PDB atom names

Issue - State: closed - Opened by martimunicoy almost 4 years ago
Labels: bug

#65 - Impact class needs to be tested

Issue - State: closed - Opened by martimunicoy almost 4 years ago - 4 comments
Labels: testing