Since Amber uses kcal/mol for energy, kcal/mol-A(ngstrom) for force, so the
potential unit is kcal/mol-e and the field unit is kcal/mol-e-A. Wes may
want to clarify on this as well.
Ray
---------- Forwarded message ----------
From: Jan-Philip Gehrcke <jgehrcke.googlemail.com>
Date: Mon, Jul 23, 2012 at 8:43 AM
Subject: [AMBER] pbsa: unit of the electrostatic potential values written
to DX file
To: AMBER Mailing List <amber.ambermd.org>
Dear PBSA developers,
what is the unit of the electrostatic potential values written to a DX
file by pbsa? Is this documented somewhere?
Thanks,
Jan-Philip
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Received on Mon Jul 23 2012 - 10:00:02 PDT
