[gmx-users] Interaction energy..

rama david ramadavidgroup at gmail.com
Fri Oct 5 16:16:19 CEST 2012

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

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