[gmx-users] how to distance between COM of two groups of atoms?

[Justin Lemkul]

On 7/1/16 7:29 PM, Ming Tang wrote:
> Dear list,
>
> I found that gmx distance can calculate distance between 2 atoms. is there a way to calculate distance centre of mass between 2 group of atoms?
>

Yes, with gmx distance.  For instance:

http://www.gromacs.org/Documentation/How-tos/Tool_Changes_for_5.0#g_dist

-- 
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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

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