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