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Published August 25, 2018 | Version 0.23.4
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choderalab/yank: 0.23.4 - Bugfix release

Creators

  • 1. @choderalab
  • 2. Memorial Sloan Kettering Cancer Center
  • 3. California Institute of Technology

Description

  • Fix bug #1012 when determining automatically the group_size of replica exchange simulations with MPI (#1073).
  • Fix bug where passing WT to the modeller directive caused the automatic setup pipeline to crash (#1074).

Files

choderalab/yank-0.23.4.zip

Files (8.6 MB)

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md5:5b75647283b878b10efaae57f2ef65a0
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Additional details

Related works

Is supplement to
https://github.com/choderalab/yank/tree/0.23.4 (URL)