VMD-L Mailing List

From: Vita Duka (vita.duka_at_gmail.com)
Date: Thu Aug 01 2013 - 08:10:10 CDT

Hello,

I’m working with the synthesized cationic lipid MD simulations. During MD
fthis lipid forms a tubular micellae, if started from a lipid bilayer (MD
done with Amber 8.0). I would like to calculate average area per lipid
headgroup.

I have read in some previous posts in VMD list and in papers about
calculation methods and techniques but only for lipid bilayer structure.
Can such calculations be done also for other lipid structural phases? I’m
not a chemist and quite new with molecular modeling.

Maybe someone can suggest where to search or how to calculate the average
area per lipid for tubular micellae with VMD? I have spent a lot of time
searching for information and experimenting with script writing in VMD.

Thanks!
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Vita Duka

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*Lecturer of Latvia University of Agriculture
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*Faculty of Information Technology
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*Department of Mathematics, Jelgava, Latvia.
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