Re: ABF on a single molecule

From: Chris Chipot (Christophe.Chipot_at_edam.uhp-nancy.fr)
Date: Mon Nov 06 2006 - 15:19:17 CST

Ugur,

This is all spelled out in the NAMD user's guide. For additional
details, please, check out J. Chem. Phys. 2004, 121, 2904–2914
and J. Chem. Phys. 2005, 123, 244906.

Chris

Ugur Akgun a écrit :
>
> Thank you Chris. What about these 3 variables?
> dxi
> xiMin
> xiMax

_______________________________________________________________________

Chris Chipot, Ph.D.
Equipe de dynamique des assemblages membranaires
Unité mixte de recherche CNRS/UHP No 7565
Université Henri Poincaré - Nancy 1 Phone: (33) 3-83-68-40-97
B.P. 239 Fax: (33) 3-83-68-43-87
54506 Vandœuvre-lès-Nancy Cedex, France

                             E-mail: Christophe.Chipot_at_edam.uhp-nancy.fr
                                            http://www.edam.uhp-nancy.fr

       To sin by silence when we should protest makes cowards out of men
                                                     Ella Wheeler Wilcox
_______________________________________________________________________

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