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marrink-lab
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vermouth-martinize
Describe and apply transformation on molecular structures and topologies
Apache License 2.0
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Idp bugfix
#591
Closed
csbrasnett
closed
2 months ago
csbrasnett
commented
2 months ago
Fix small bug in how water biasing is applied to IDRs
Add some more complementary info to the -ss help
Added relevant citation to Go preprint when Go features are used
Added an integration test for an IDP