GROMACS version: 2020.2
GROMACS modification: No
Dear GROMACS users,
I have MD trajectory of protein complex with two identical ligands. The group names for ligands are the same (EIEE). I’d like to calculate protein-ligand interaction (like here Protein-Ligand Complex) for both ligands independently. Is this possible? How to specify the number of a specific ligand?
Or do I need to rerun simulation giving the different names for ligands?