Hi, There's no center of a periodic cell, so wherever you place it originally is arbitrary. You get restraints only if you choose to have them in your topology.
Mark On Tue, Jun 27, 2017 at 9:00 AM Apramita Chand <apramita.ch...@gmail.com> wrote: > Dear All, > Using g_editconf, I am centering the peptide in the box initially. During > equilibration, I'm gradually releasing position restraints. I want the > peptide to be free to move around so that I might calculate its diffusion > constant. > In that case, will centering using -c option restrain its motion ? > > > yours sincerely > Apramita > -- > 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.
