[gmx-users] Energy-groups?

[nishap.patel at utoronto.ca]

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