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

[Erik Lindahl]

Hi,

> Are there someone can answer my question about the calculation of the 
> area
> per headgroup of lipid if there are the ions and samll molecules half
> inserted in the bilayer systems?
>

It's not really a question of the calculation, but rather which 
definition you want to use, and there's not necessarily a right/wrong 
answer to that.

If you don't want the whole membrane area there are Gromacs tools to 
calculate surface areas, or you could write your own triangulation code 
and try to approximate some molecular area.

Cheers,

Erik