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GOMC-WSU / MoSDeF-dihedral-fit

MoSDeF-dihedral-fit: A simple software package to fit dihedrals via the MoSDeF software
MIT License
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added a HC-CT-CT-HC test on butane to ensure all the duplicate angles are being calculated properly #124

Closed bc118 closed 3 months ago

bc118 commented 3 months ago

added a HC-CT-CT-HC test on butane to ensure all the duplicate angles are being calculated properly