[gmx-users] area per lipid with peptide/protein
Nicolas Michel
n.michel84 at numericable.fr
Fri Jan 20 09:35:42 CET 2006
Patrick Fuchs a écrit :
> Hi gmx users,
> does anyone know a simple way to evaluate the area per lipid of a
> simulation of peptide (or protein) within a lipid bilayer (in other
> words, how to evaluate the area of the peptide (or of the protein)) ?
> Thanks for your answer,
>
> Patrick
>
Hello,
I think there is no tool for a direct calculation. But you get the area
per lipid of simple membranes by division of the surface area (xy plane)
of the simulation box by the number of lipid in a leaflet (quite
simple). For a protein you could project it along the normal of the
bilayer (z) and then calculate its surface area on the xy plane. A vmd
script would do the trick.
Regards
--
Nicolas Michel, PhD Organic Chemistry
Chercheur au chomage
More information about the gromacs.org_gmx-users
mailing list