Determination of ligand and individual residue (of protein) interaction energy

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GROMACS version: 2020.1
GROMACS modification: No
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Dear Justin, I have run a protein-ligand MD using CHARMM36 force field. Now I want to determine the interaction energy (LJ-SR and Coul-SR) of ligand with the individual residue / amino acid (of protein) present in the radius of 4 A distance from ligand.

I want to know the interaction energy with each amino acid involved in the selected radius.
Do I need to make multiple indexes considering each amino acid and ligand or something else?

Please suggest.

2

Each residue or ligand needs to be its own index group. You can then get the full interaction energy matrix (some terms will not be of interest) via

energygrps = res1 res2 res3 ... lig