[gmx-users] NBFIX to gromacs

Ricardo O. S. Soares ross_usp at yahoo.com.br
Mon Apr 30 22:30:59 CEST 2012

Hello GMX users,

does anyone that dealt with Charmm before knows how to translate the NBFIX section into a Gromacs ff format? After convertion from KCal to KJ, does it go into [pairtypes]?
I see that it concerns to corrections in LJ interactions, however the charmm documentation seems a bit unclear to me.

Thanks again,
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