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Published November 9, 2019 | Version 0.25.1
Software Open

choderalab/yank: 0.25.1 - Bugfix and more robust yank status command

Creators

  • 1. @choderalab
  • 2. Memorial Sloan Kettering Cancer Center
  • 3. @MolSSI at Virginia Tech
  • 4. Onai
  • 5. Hospital Infantil de México Federico Gómez.
  • 6. California Institute of Technology
  • 7. @apisde
  • 8. @volkamerlab + @choderalab

Description

Bugfixes

  • The command yank status now handles gracefully the case where it attempts to open a locked netcdf file (#855).
  • Fix bug causing YANK to crash sometimes when the option bidirectional_redistribution was activated (#1192).

Files

choderalab/yank-0.25.1.zip

Files (8.5 MB)

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md5:327a683f94a9e80673792ecb7971e49e
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Additional details

Related works

Is supplement to
https://github.com/choderalab/yank/tree/0.25.1 (URL)