Release Name: 4.1
Change Log
Bug fixes in 4.1: [#1594] Fortran: OpenMM_DoubleArray_set fails [#1599] AmberPrmtopFile ignores rigidWater flag [#1604] Context constructor throws exception [#1606] AmberInpcrdFile returns velocities with wrong units [#1612] Context.applyConstraints() does not work for OpenCL [#1613] PDBFile ignores atoms with alternate locations [#1616] AmberPrmtopFile with constraints=HAngles computes the wrong distance for some constraints [#1629] NaN forces with AMOEBA system created through openmm app [#1634] Variable time step integrators do not report step size correctly [#1659] simtk.openmm.app.amberinpcrdfile: getPositions(asNumpy=True) doesn't return correctly-wrapped Quantity [#1664] Multipole energy incorrect for PME caclulations [#1665] AMOEBA multipole forces incorrect for non-cubic boxes [#1666] The induced dipoles are nans for AMOEBA runs [#1667] The AMOEBA Van der Waals forces and energy disagree w/ TINKER values