marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies
Apache License 2.0
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Fix #558 by inverting the link logic generating charged backbone charge dummy exclusions for polarizable forcefields #583

Closed pckroon closed 2 months ago

pckroon commented 3 months ago

Turns out those exclusions were missing from elnedyn22p completely as well...