Hi, Yes, if you check out the documentation of tabulated non-bonded interactions in the reference manual, you will see that you can apply different tables for particles when drawn from different energy groups.
Mark On Sat, Mar 10, 2018 at 1:06 AM Debdas Dhabal <ddha...@seas.upenn.edu> wrote: > Hello everyone, > > This question may be very simple to most of the Gromacs user. I wonder if > Gromacs allow us to use both user-defined non-bonded potentials (Table > potential) as well as Gromacs predefined potential at the same time. For > example, if I have a system with a solute in a solvent and for > solvent-solvent nonbonded interaction, I want to use Gromacs defined LJ > potential but for solute-solvent nonbonded interaction, I want to use a > custom potential using a Table format. I know that solvent-solvent > interaction can also be incorporated in the Table file and we can run > Gromacs successfully, but I want to use Table potential only for which > Gromacs does not have predefined form. Is it possible ?. If so, I would > be grateful if someone could suggest me to how to do that?. > > I will appreciate all your valuable inputs. Thanks so much in advance. > > -- > Debdas Dhabal > Postdoctoral Researcher. > SEAS, Department of Chemical and Biomolecular Engineering, > The University of Pennsylvania, Philadelphia, PA 19104, USA. > -- > 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.
