Implements a class for meta-collective variables

RedesignScience / cvpack

Useful Collective Variables for OpenMM

MIT License

11 stars 1 forks source link

Closed craabreu closed 5 months ago

craabreu commented 5 months ago

This PR implements the MetaCollectiveVariable class, which is a CVPack-style abstraction of OpenMM's CustomCVForce class.