From: Francesco Pietra (chiendarret_at_gmail.com)
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)
qsite_binding_energies.py , which, however, I only know by name.
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