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Published December 4, 2017 | Version 0.19.3
Software Open

choderalab/yank: YANK 0.19.3 - Support for Amber restart files

Authors/Creators

  • 1. @choderalab
  • 2. Memorial Sloan Kettering Cancer Center

Description

  • Added support for Amber rst7 files in phase1_path/phase2_path (#840).
  • The CLI option jobid now uses 1-based numbering like Torque and LSF do for array jobs (#840).

Files

choderalab/yank-0.19.3.zip

Files (8.3 MB)

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md5:dab1a9f6d8259776b2f312f763b359bb
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Additional details

Related works

Is supplement to
https://github.com/choderalab/yank/tree/0.19.3 (URL)