[gmx-users] Interaction energy..

[rama david]

Hi gromacs friends,

I completed the simulation of receptor and ligand,
I visualized the trajectory in the vmd I found  most of the time C terminal
(ARG) interact with receptor ( 320 ASP) .
I want to find out these interaction energy between these two residues in
the simulation.



How to find  these interaction energy????

( include the LJ and electrostatic interaction)..


Thank you in advance.
With best wishes and regards.

Rama david