[gmx-users] Fwd: Individual energies of amino acids

[Mark Abraham]

abhigna polavarapu wrote:
> 
> 
> 
> Hi Mark,
>               I need to calculate the individual energies of aminoacids 
> using Gromacs. But while using energygrps option in .mdp file for each 
> amino acid I can only calculated the nonbonded energies of this residue. 
> Is there a way where I can calculated the bonded interactions for each 
> amino acid?

I answered this already. 
http://www.gromacs.org/pipermail/gmx-users/2007-June/027899.html Please 
don't re-post identical questions.

Mark