[gmx-users] RDF plot with large g(r) values

Justin Lemkul 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
> 0-12.

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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