[gmx-users] Definition of mol_cog

[Justin Lemkul]

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

-- 
==================================================

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

==================================================