[gmx-users] Radius of gyration
jalemkul at vt.edu
Tue Oct 20 02:22:10 CEST 2015
On 10/19/15 8:12 PM, Parvez Mh wrote:
> Dear All,
> In my simulation, a group of molecules form a big cluster. I want to
> measure radius of gyration of this cluster. I know index of molecules
> those are part of the cluster. Problem is, cluster is broken due
> periodicity. Is it possible in gromacs, to measure radius of gyration of
> this type of cluster?
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
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