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.
