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  • 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
02_running_sims.rst 72.2 KB