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  • feiglab's avatar
    fix for scaled 1-4 LJ interactions when NBFIX is present in Gromacs topology file (#5032) · d2a5d7e4
    feiglab authored 
    * fix to correctly read Gromacs topology files for CHARMM force field

* updated fix to correctly read topology files with NBFIX and different combination rules

* fixes to read topology files with NBFIX and different combination rules

* changed default for useDispersionCorrection to True

* changed docstring default for useDispersionCorrection to 'True'

* fix scaling of 1-4 LJ pairs when NBFIX is used
    d2a5d7e4
apgr.nbfix.nopairs.comb2.fudge.top 51.6 KB