Hi everyone!
I want to run MM GBSA on a trajectory. My complex has 7 ligands. All
ligands are identical but at different positions. They have different
residue numbers. How can i calculate the MMGBSA energy for a specific
ligand residue.
Is it possible to calculate MMGBSA energy for all ligands in a single run
of MMGBSA.
Regards
Abhilash
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Received on Tue Jan 31 2017 - 08:30:07 PST
