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].
