[gmx-users] Disribution Function
jalemkul at vt.edu
Wed Nov 4 23:45:42 CET 2015
On 11/4/15 5:43 PM, thomas knitter wrote:
> Hi there,
> I am trying to find the radial distribution function of the molecule. I
> gmx analyze -msd energy.xvg
> But it is giving me an error.
> Any help appreciated.
The tool to compute RDF is (conveniently enough) called gmx rdf.
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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