[gmx-users] Radius of gyration

[Justin Lemkul]

On 10/19/15 8:12 PM, Parvez Mh wrote:
> Dear All,
>
> In my simulation, a group of molecules form a big cluster. I want to
> measure radius of gyration of this cluster. I know index of  molecules
> those are part of the cluster. Problem  is, cluster is broken due
> periodicity. Is it possible in gromacs, to measure radius of gyration of
> this type of cluster?
>

http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions#Suggested_trjconv_workflow

-Justin

-- 
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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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