Re: ABF Output File

From: Chris Chipot (Christophe.Chipot_at_edam.uhp-nancy.fr)
Date: Sun Dec 02 2007 - 13:22:03 CST

Jason,

the units are kcal/mol and kcal/mol/Å.

Chris

Jason Wyonn O'Young a écrit :
> Hi All,
>
> This is a pretty simple question, but I couldn't find the answer online
> or in the source files.
>
> What are the units for the free energy and average force in the ABF output?
>
> Thanks!
> Jason

_______________________________________________________________________

Chris Chipot, Ph.D.
Equipe de dynamique des assemblages membranaires
Unité mixte de recherche CNRS/UHP No 7565
Nancy Université Phone: +33 (0)3-83-68-40-97
B.P. 239 Fax: +33 (0)3-83-68-43-87
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                             E-mail: Christophe.Chipot_at_edam.uhp-nancy.fr
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                                                        N. G. van Kampen
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