[gmx-users] radial density profile
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.
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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