GitLab

* Use the force group which is assigned to the metadynamics force

* Handle a case when all the force groups are already used

* Fix a typo

Moved _syncWithDisk in init before adding table of biases to CustomCVForce so that loaded biases are included in the biasing potential. (#3052)

* Replaced several AMOEBA bonded forces with custom forces

* Deleted obsolete AMOEBA forces

* Replaced AmoebaPiTorsionForce with custom force

* Update charmmparameterset.py

* Update charmmpsffile.py

* Top level Python module is now "openmm"

* Updated module names in examples

* Updated module names in documentation

* Updated module in CI scripts

* Added deprecation warning

* Made ordering of impropers more deterministic

* Fixed typo

* Initial fixes for Apple silicon

Doesn't work yet

* assume vec4 is supported on apple

* Trust the user with env variables

* Fix macos-version-min logic

* Do not alter mass of hydrogens in rigid water

* Do not alter mass of hydrogens in rigid water

* nbthole

* Update charmmpsffile.py

* Update charmmpsffile.py

* Update charmmparameterset.py

fix multiple dihedral with the same periodicity and add a warning reminder for improper dihedral

* add test example for NBTHole

add system files of CYT-GUA-CYT DNA segment for testing NBThole

* Update TestCharmmFiles.py

* Updated to latest values for physical constants

* Updated documentation on physical constants

* Updated Python unit definitions

* Fixed constants in test case

* Added a comment