Hi, IIRC that's enough, for dihedral restraints. You will see energy contributions from the the restraints appear in your .log and .edr files if the restraints are active. I don't recall if there is anything printed by mdrun before the simulation commences.
Mark On Wed, Jan 9, 2019 at 10:14 AM ABEL Stephane <stephane.a...@cea.fr> wrote: > Hello > > I would like to apply some dihedral restraints in different residues of my > protein during the production stage. For that I have added at the end of > the protein itp the section > [ dihedral_restraints ]. Is it enough ? Should I add something else in the > mdp ? In other words, how to be sure that the restraints are effectively > applied during the run ? > > I am using GROMACS 2018.2 > > Thank in advance and happy new year to all > > Stéphane > -- > 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.
