Published September 17, 2017 | Version 1.1.0

choderalab/yank-examples: LSF and Updates for YANK 0.17

  • 1. @choderalab
  • 2. Memorial Sloan Kettering Cancer Center
  • 3. University of California, Irvine

Description

This version has been updated to be compatible with YANK 0.17.0 and adds LSF scripts which have been tested for functionality on MSKCC's Cluster.

Files

choderalab/yank-examples-1.1.0.zip

Files (342.3 kB)

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