[gmx-users] how to calculate binding free energy and electrostatics potential for ligand-protein complex

[pawan gupta]

hello

How can we calculate binding free energy and electrostatics potential  for
ligand-protein complex?

which parameter is required in mdrun input file for that?

I tried online manual but did not get output.

It is appriciable if any body have idea


Thanks in advance


Regards
Pawan Gupta
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