GitLab

Add test for parameterizing system using templates built with the help of getUniqueUnmatchedResidues()

Move all of the logic for GB parameter assignment into the new subclasses

Fix error in ionicStrength definition in Modeller.addSolvent()

Removed calls to cufftSetCompatibilityMode()

mm.GBSAOBCForce as well.

Previously, parameters were defined in multiple places -- amber_file_parser.py
and charmmpsffile.py.

Allow specification of extra particles in PDB files via element field and extraParticleIdentifier

Loading a checkpoint marks that positions have been set

Record force group for AMOEBA forces

Improvements to addHydrogens()

Fixed a bug in serializing CustomCentroidBondForce

AMOEBA extrapolated polarization