Hi, Different force fields work differently and thus are implemented differently. Look at oplsaa.ff/ffnonbonded.itp and you will see that sigma is a property of the atomtype
Mark On Wed, Jun 21, 2017 at 4:16 PM gozde ergin <gozdeeer...@gmail.com> wrote: > 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. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
