[gmx-users] non-bonded sigma for amino nitrogen–carboxylate oxygen interactions in OPLSAA in GROMACS
gozde ergin
gozdeeergin at gmail.com
Wed Jun 21 16:16:38 CEST 2017
Dear users,
I am trying to change the sigma value of amino nitrogen–carboxylate oxygen interactions in OPLSAA in GROMACS.
However I have difficulties to understand which parameter i should change in ffnonbonded.itp file?
I am looking something like [ nonbond_params ] section however it is not exist in ffnonbonded.itp?
Any help would be appreciated.
Thanks in advance.
More information about the gromacs.org_gmx-users
mailing list