[gmx-users] Regarding MM/GBSA method implemented in the GROMACS package

Sundari sundi6170 at gmail.com
Fri Sep 28 17:07:23 CEST 2018

Dear Gromacs users,

I want to calculate Binding energy between the protein and the carbon nano
tube. Is there any way  to do that by gromacs commands.
 As I only have .xtc and .tpr files from gromacs.

Please suggest me any idea or any article so that based on trajectories
(xtc or trr) how one can get these binding energies.


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