AboutDownloadsDocumentsForumsWikiIssuesNews

Release Name: 5.0.1

Change Log
The following bugs were fixed in OpenMM 5.0.1:

1811: Different number of bits for host and device code
1813: Fixed uninitialized memory in Reordering code
1814: createCheckpoint segfaults on NVE systems
1817: CUDA does not set context correctly when applying constraints

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
Feedback