[gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs

[Xavier Periole]

You may want to check the paper from T. Huber et al., Biophys 2004, 86, 
2078-2100
He presents among other things a Generalized molecular surface approach 
(GMS),
which he applies on a protein/membrane/solvent system to extract 
information on the
interfaces between the three componants. He uses a Connolly-type 
molecular surface
and Voronoi cell definition. Seems very efficient to determine the head 
group/acyl chain/
protein/solvent contributions to the volume occupancy.

Best
XAvier

-- 
----------------------------------------------

   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: http://md.chem.rug.nl/~periole
   
----------------------------------------------