Receptor-ligand binding energy from QMMM

From: Francesco Pietra (
Date: Sat Apr 18 2020 - 03:52:40 CDT

Does anyone know of any software developed for NAMD QMMM to obtain the
receptor-ligand binding energy?

I am aware of NAMD's QMMM_string_eABF, but I am referring here to
something as simple as the static commercial (Schoedinger) , which, however, I only know by name.

francesco pietra

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