Hello,
I want to plot the interaction potential energy between my solute
and solvent. In my .mdp file I did not mention anything under
energygrps,so I am thinking it calculates the energies for the whole
system. But is there a way I can extract say for example LJ-14 term
between my solute and solvent using the same .edr file? Or would I
have to specify my energygrps and run the simulation again.
Thanks.
Nisha
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