GitLab

Add methods to retrieve residues without matching forcefield residue templates

Created property for disabling the PME stream

Fixed bug in selecting device index

Enable wildcard use for Atom Types

Update README.md badges and links

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.