Binding of the free energy of ligand-protein complexes

GROMACS version: 2018.1
GROMACS modification: No
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Is it possible to conduct the molecular mechanic-Poisson-Boltzmann surface area (MM-PBSA) method in order to calculate the binding free energy of a ligand with a protein with the version 2018.1 of the GROMACS package and the CHARMM36 force field?
Thanks in advance for any responses.

You can have a look at this third part tool:


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Hi @konstantina, You can also use this tool You can use this simple bash script regardless of GROMACS versions and force fields.

Thank you all for the quick responses. I will try out your suggestions