[gmx-users] RDF plot with large g(r) values
jalemkul at vt.edu
Thu Jan 8 13:54:47 CET 2015
On 1/8/15 4:48 AM, Kester Wong wrote:
> Dear all,
> My apologies if this question sounds too basic of if it has been covered.
> I did some RDF calculations, and as when I plotted the figures, the g(r) values
> are in the hundreds, whereas the papers that I have seen are all in the range of
Are you comparing equivalent systems, e.g. trying to reproduce previous
findings? If not, it's just apples and oranges. Your result is not necessarily
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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