[gmx-users] Definition of mol_cog

Justin Lemkul jalemkul at vt.edu
Thu Jan 28 16:01:12 CET 2016



On 1/27/16 6:23 PM, Xingcheng Lin wrote:
> Hi,
>
> What is mol_cog option in -rdf of gmx rdf of Gromacs? What's the difference
> between it and mol_com?
>

Well, what's the mathematical difference between a center of mass and a center 
of geometry?

-Justin

-- 
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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
http://mackerell.umaryland.edu/~jalemkul

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