[gmx-users] Ene mapping interactions protein-membrane

[X.Periole]

On Tue, 24 Jan 2006 12:20:46 +0100
  andrea spitaleri <spitaleri.andrea at hsr.it> wrote:
>           Hi all,
> I need to map the energetic interactions of a system 
>protein-membrane. I see g_enemat but I need to map all 
>residues of my protein
> versus the membrane, in order to identify which residue 
>is mostly having an energetic influence on the total 
>energy behaviour.
> 

You have to create an index which defines each residue and
the membrane separately, and define them in the mdp file
in energy_grp. Then rerun and the new ener.edr will 
contain
all the interaction energies.

XAvier