Hi, There is no general support for rigid body dynamics in GROMACS.
Mark On Tue, May 8, 2018, 12:52 Qasim Pars <[email protected]> wrote: > Dear users, > > I would like to constraint all the angles and dihedrals of a ligand to > make it rigid but Gromacs does not have this capability for the dihedrals. > However, the angle and dihedral restraints do not make it rigid as I want, > as it is very flexible. > > Do you have an idea on how I can make the ligand rigid using gromacs? > > Thanks in advance, > -- > 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].
