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Published March 23, 2018 | Version 0.15.0
Software Open

choderalab/openmmtools: 0.15.0 - Restraint forces

Creators

  • 1. Memorial Sloan Kettering Cancer Center
  • 2. @choderalab
  • 3. @choderalab // MSKCC
  • 4. National Institutes of Health

Description

  • Add radially-symmetric restraint custom forces (#336).
  • Copy Python attributes of integrators on deepcopy() (#336).
  • Optimization of states.CompoundThermodynamicState deserialization (#338).
  • Bugfixes (#332, #343).

Files

choderalab/openmmtools-0.15.0.zip

Files (11.6 MB)

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md5:4437a31f09397255267f02a6b79ccb23
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Additional details

Related works

Is supplement to
https://github.com/choderalab/openmmtools/tree/0.15.0 (URL)