[gmx-users] Area of Mixed lipid Bilayer

[Justin Lemkul]

On 3/7/14, 10:31 AM, Nikhil Agrawal wrote:
> Dear All,
>
> I have assembled the mixed bilayer of POPC, POPE and Cardiolipin molecules.
> I want calculate the area of each lipid in the bilayer separately. Can
> anyone would suggest me how I would do that ?
>

<shameless self-promotion>

http://www.bevanlab.biochem.vt.edu/GridMAT-MD/

</shameless self-promotion>

There are a number of algorithms that will do this, ranging from our simple 
grid-based approach to more complex Voronoi algorithms.  Several are published.

-Justin

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

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

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