Implement CHARMM force-field

marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies

Apache License 2.0

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Open fgrunewald opened 4 years ago

fgrunewald commented 4 years ago

Would be cool to have a working version on the most recent CHARMM force-field

fgrunewald commented 4 years ago

we are also missing parsing for the cmap directive