[gmx-users] atom freezing

Justin Lemkul jalemkul at vt.edu
Thu Jan 1 19:38:55 CET 2015

On 1/1/15 1:37 PM, mah maz wrote:
> Thanks Justin! I tried the freezegrps and freezedim but it needed the name
> of the groups. As I said in my system only one type of atom is defined.
> Should I put the desired atoms in a different group and freeze them? Any
> other ways to call the atoms by their numbers?

Index groups are the only method.  The group concept is described in depth in 
the manual.  Read about make_ndx.



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

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


More information about the gromacs.org_gmx-users mailing list