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
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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