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.
