How to do a GROMACS simulation for two ligands?

18 February 2022 0 464 Report

I am working on finding interactions between two ligands (one is a pesticide and the other is Dopamine). I want to set up a GROMACS simulation with these two ligands kept apart from each other at the center of the simulation box and then solvate them in water with TIP3 model. I am new to GROMACS, so can someone help me out? Thanks in advance

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