[gmx-users] gromacs..

Justin A. Lemkul jalemkul at vt.edu
Tue Dec 8 12:49:18 CET 2009

Henry Ynag wrote:
> Hello everyone,
> I am quite new to gromacs. I would like to know how can  I calculate the 
> area per lipid for my simulations. I am running simulations with 128 
> DMPC lipid bilayer. I have the output of 30 ns simulations.  Also how 
> can i make a graph with this output.

Plot the relevant box vectors from the .edr file (g_energy).  You then have to 
come up with your own way to multiply these values (to get the total lateral 
area) and divide by the # of lipids per leaflet.  A simple Perl script should do 
the trick.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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