ABF FEP with multichain receptor

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Fri Jul 07 2017 - 10:21:52 CDT

Does anyone know whether ABF and FEP simulations can be carried out with
namd on a two-chains protein containing a ligand in one of the two chains?
i am referring to, in particular, the 2017 tutorial protein-ligand.


francesco pietra

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