[gmx-users] Energy contribution of individual residues

[Dr. Seema Mishra]

Hello Gromacs users,
I have run several 50 ns production runs using Gromacs. Can anyone tell me how to calculate interaction energy of indvidual protein residues with ligand? I had set energygrps as "Protein LIG" (LIG for ligand). I have gone through the archives, but these do not tell much and say that the results may not be accurate, and because of shortage of time, I cannot do the production run again with setting energygrps for individual residues. Do you happen to know any other good tool? 
Thanks. ---