Hello,
I performed a molecular docking with only one ligand using the software MGLTools and Vina, and I’m performing the visualization of multiple ligands from these results that I obtained in that first moment. I would like to calculate the energy of the interactions between my receptor and ligands from this data that I have. Can I perform this calculation using AmberTools? If so, could someone point me to a tutorial, or script, to perform this calculation?
Best regards