Hi, There's no free lunch. If you want to calculate an energy then you need a model physics - ie a topology. But even when you do, the distinction of being part of the nonbonded interactions is physically meaningless, so I would reconsider your approach.
Mark On Sat, 23 Sep 2017 14:44 Mohan maruthi sena <[email protected]> wrote: > Dear all, > I have generated dcd file using NAMD and converted the > trajectory to .trr. I want to calculate nonbonded energy between two > residues in my system. I do not have .edr file. Is there any other way to > calculate nonbonded energy. > > > > -- > Thanks and Regards, > Mohan Maruthi > -- > 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 [email protected]. > -- 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 [email protected].
