Published July 18, 2016
| Version 0.9.0
Software
Open
yank: 0.9.0
Authors/Creators
- 1. Memorial Sloan-Kettering Cancer Center
- 2. Chodera Lab
Description
In this PR
- Changed YAML syntax.
- New command yank analyze extract-trajectory to extract data from NetCDF4 file in a common trajectory format.
- Support for solvation free energy calculations.
- Automatic detection of MPI.
- Various bug fixes.
Files
yank-0.9.0.zip
Files
(21.3 MB)
| Name | Size | Download all |
|---|---|---|
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md5:1f34d8b2abd21e72042c80a9fd351a84
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21.3 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/choderalab/yank/tree/0.9.0 (URL)