Hi, This is called an index group (see manual) and can be made by hand, or with gmx make_ndx, or gmx select, in increasing order of powerfulness. :-)
Mark On Fri, Jun 10, 2016 at 3:26 PM Irem Altan <[email protected]> wrote: > Hi, > > I would like to freeze a subset of protein atoms in my system. Since I > don’t want to freeze them all, I can’t really do the following: > > freezegrps = Protein-H > freezedim = Y Y Y > > How can I define a custom set, e.g. atom indices {400,1200,234} etc.? > > Best, > Irem > -- > 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].
