[gmx-users] Membrane Curvature calaculation

Justin Lemkul jalemkul at vt.edu
Wed Jul 31 20:52:34 CEST 2013

On 7/31/13 1:38 PM, Nikhil Agrawal wrote:
> Dear All,
> How to calculate membrane curvature with function of time in gromacs? what
> are the parameters that define curvature?
> mean angle and distance and all ? can anybody help me to solve this problem
> , because I am new to gromacs......:)

Look into the work of Klaus Schulten.  He has recently done a lot of membrane 
curvature stuff and all his papers describe the math in great detail.  That will 
lead you to either auxiliary software that can do the calculations or the 
information you will need to extract using Gromacs utilities.



Justin A. Lemkul, Ph.D.
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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