[gmx-users] Regarding calculation of Lennard-Jones potential

Tushar Ranjan Moharana tusharranjanmoharana at gmail.com
Mon Sep 18 08:10:13 CEST 2017

You can do that by g_energy (or gmx energy). but before that you have to
create separate energy group and mention in .mdp file prior to md run. or
you can rerun the trajectory with above changes.

Tushar Ranjan Moharana
B. Tech, NIT Warangal
Ph D Student, CCMB

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