Thank you very much Peter Eastman and Lewis Martin, it was just what I needed to do the MMGBSA calculations.

CaFE looks like a good tool and thanks for presenting it to me.

Greetings

Thank you for your quick response, Peter.

I have another question, if openMM has any script in python (e.g., MMPBSA.py with AmberTools ) to run the protocol in MMGBSA.

Regards

Hello OPENMM team, along with greeting you, I wanted to ask you if there is any protocol for MMGBSA calculations that can be used?

Greetings