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Published 20 hours ago • verified publisher icon mosdef-hub

CustomTorsionForce Elements in FFXML

Open ahy3nz opened this issue 7 years ago • 1 comments
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The Charmm forcefield includes elements for improper dihedrals (which are supported in OpenMM and ParmEd). Foyer needs to accept CustomTorsionForce elements also

ahy3nz avatar May 02 '18 20:05 ahy3nz

Charmm XML that was designed for OpenMM (https://github.com/choderalab/openmm-forcefields)

ahy3nz avatar May 02 '18 21:05 ahy3nz