• Peter Eastman's avatar
    Added AMOEBA 2018 force field (#3299) · 06767dde
    Peter Eastman authored
    * Adding support for new AMOEBA features
    
    * Support modern method of specifying in-plane angles
    
    * Implemented stretch-torsions
    
    * Implemented angle-torsions
    
    * More AMOEBA fixes
    
    * Bug fix
    
    * Converted AMOEBA 2018 force field
    
    * Added documentation for AMOEBA 2018
    
    * Added a missing file for tests
    06767dde
processTinkerForceField.py 51.5 KB