[AMBER] acclerated molecular dynamics alphaP

From: Nicole Ippolito <ippolito.nicole89.gmail.com>
Date: Tue, 29 Oct 2013 09:59:22 -0500


I have a general question. When calculating alphaP for acclerated MD, do
you use the total number of atoms in the pdb (counter ions and waters
included) or is it just the atoms in the protein? I am assuming it is the
total atoms in the pdb, but I just want to clarify this.

Nicole Ippolito
Auburn University
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Received on Tue Oct 29 2013 - 08:00:03 PDT
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