[gmx-users] calculate *all* carbon atom distances over time?
jalemkul at vt.edu
Mon Feb 15 18:52:53 CET 2016
On 2/15/16 12:51 PM, Athina Meletiou wrote:
> I apologise for the typo - I meant "create an index file in which each atom will be in an individual group"
Yes, at which point it is trivial to loop over all combinations of interest in a
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
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University of Maryland, Baltimore
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Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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