SimTK: OpenMM: File Release Notes and Changelog

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Release Name: 5.0

Change Log

The following bugs were fixed in OpenMM 5.0:

1694: PME on CPU produces an error
1695: PrmtopLoader sets residue indices incorrectly
1701: Bug in tapering for AMOEBA VDW force
1702: Vdw combining epsilon rules for AMOEBA on Cuda incorrect
1714: Fortran wrapper fixes
1732: requestExclusions() in
OpenMM/platforms/cuda2/src/CudaNonbondedUtilities.cpp sensitive to
internal exclusion order
1747: Indent typo in amber_file_parser.py:903 leads to 50% velocity
initialisation
1753: MonteCarloBarostat reorders molecules
1754: Kinetic and potential energy are specified at different times
1773: Use elements specified in PDB file
1787: Incorrect ion parameters for AMBER10

SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.

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