Thank you! :) 2015-07-28 15:30 GMT+01:00 Justin Lemkul <jalem...@vt.edu>:
> > > On 7/28/15 10:16 AM, Dawid das wrote: > >> 2015-07-28 15:02 GMT+01:00 Justin Lemkul <jalem...@vt.edu>: >> >> Those are reference positions for restraints. The restraints won't be >>> applied to anything that's not actually specified in >>> [position_restraints]. >>> >>> >> >> Right, so that means that if I read all atoms in *trp file as I send you >> in >> my previous message but only heavy atoms indexes are present in posre.itp >> file, it's all fine? Only those heavy ones are restrained? >> >> > Yes. > > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Ruth L. Kirschstein NRSA Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 629 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > http://mackerell.umaryland.edu/~jalemkul > > ================================================== > -- > 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.
