search

RedesignScience / cvpack

Useful Collective Variables for OpenMM
https://redesignscience.github.io/cvpack/latest
MIT License
11 stars 1 forks source link

Defines periods of periodic collective variables #62

Closed craabreu closed 8 months ago

craabreu commented 8 months ago

Description

Periodic CVs like angles and torsions have their periods hardcoded.

Custom CVs like atomic and centroid functions allow for user-defined periods.