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g energyTable of contents
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 Lennard-Jones 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 interaction contribution. Analogously, energy terms for Coulombic interactions are also present in various forms. Coul-SR is the Coulombic potential within
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