[AMBER] Energy minimization in Implicit solvent for Langevin dynamics simulation

From: Vishal Singh <vishal.chemistry5.gmail.com>
Date: Mon, 9 Sep 2019 12:51:04 +0530

I am doing Langevin dynamics simulation,
How can I minimization the energy of the system for Implicit solvent?
Is restrain of the solute atom is needed in minimization for Implicit
solvent?
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Received on Mon Sep 09 2019 - 00:30:02 PDT