[gmx-users] index file for DPPC

[koukoulitsa at eie.gr]

Dear all gmx_users,

I want to calculate the order parameter after the incorporation of a molecule of DHA in the DPPC Bilayer (100 DPPC lipids).

I have read in the manual that the program can gives an idea of the ordering of a molecule from head to tail and I have read that I have to construct an index file, but I don't know how I can group all the CH2 segments that are necessery for this calculation.

I will appreciate your help,

thanks in advance!

Caty. 



Dr. Koukoulitsa Catherine
Laboratory of Molecular Analysis
Institute of Organic & Phamaceutical Chemistry
Hellenic National Research Foundation
Vas. Konstantinou 48
11635, Athens
Greece
 
Tel: +30-210-7273869-71
Fax: +30-210-7273872
Web: www.eie.gr
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