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Published July 19, 2024 | Version 0.14.0
Software Open

openmm/openmmforcefields: 0.14.0 Enable GAFF support with OpenMM 8.1.2

Authors/Creators

  • 1. Memorial Sloan Kettering Cancer Center
  • 2. @choderalab & @OpenFreeEnergy
  • 3. Open Molecular Software Foundation
  • 4. Chodera Lab // MSKCC
  • 5. Stanford University
  • 6. @rahko-ai
  • 7. @cole-group
  • 8. @openforcefield

Description

GAFF now works with OpenMM 8.1.2

A release will follow soon that enables GAFF support on older OpenMM releases.

What's Changed

  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/openmm/openmmforcefields/pull/340
  • re-enable gaff by @mikemhenry in https://github.com/openmm/openmmforcefields/pull/334

New Contributors

  • @pre-commit-ci made their first contribution in https://github.com/openmm/openmmforcefields/pull/340

Full Changelog: https://github.com/openmm/openmmforcefields/compare/0.13.0...0.14.0

Files

openmm/openmmforcefields-0.14.0.zip

Files (31.0 MB)

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md5:812678d9aa99468959d61b60fa8caf04
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Additional details

Related works

Is supplement to
Software: https://github.com/openmm/openmmforcefields/tree/0.14.0 (URL)