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RedesignScience / cvpack

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

Fixes issue with PathInCVSpace #68

Closed craabreu closed 7 months ago

craabreu commented 7 months ago

Description

Adds copies of passed CVs to the underlying CustomCVForce. This allows reusing the CV objects to constructi both s (progress) and z (deviation).