• Peter Eastman's avatar
    Implicit solvent for modern force fields (#3214) · 654c6c9c
    Peter Eastman authored
    * Created OBC2 that works with current force fields
    
    * Created HCT, OBC1, GBn, and GBn2 that works with current force fields
    
    * Added documentation for GB models
    
    * Updates to documentation and tests based on comments
    
    * Added formula for screening parameter
    654c6c9c
TestForceField.py 58.2 KB