[gmx-users] radial density profile

Justin Lemkul jalemkul at vt.edu
Tue Aug 19 14:48:52 CEST 2014

On 8/19/14, 8:46 AM, Atila Petrosian wrote:
> Dear gromacs users
>   I would like to compute the radial density profile (1/nm-3) of
> different parts of a micelle formed with SDS molecules (such as headgroup,
> alkyl tail and water) relative to the center of mass of the micelle.
> Is there a direct tool in gromacs to obtain this parameter? If not, please
> guide me how to calculate this parameter.

g_rdf -com



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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