g energy

The g_energy program extracts information from .edr files and prints the output to an .xvg file for plotting and / or further analysis.

You will notice that three kinds of LJ energies may be reported. When calculating the non-bonded energies, GROMACS can handle twin-range cutoffs, depending on the settings in the .mdp file (and see the manual), so LJ-SR ("short-range") is the LJ contribution inside the shortest cutoff, and LJ-LR ("long-range") is outside the shortest cutoff, but within the longest. LJ-14 is the pair interactions contributions.