Re: ABF Simulation

From: Chris Chipot (Christophe.Chipot_at_edam.uhp-nancy.fr)
Date: Wed Oct 05 2005 - 07:58:57 CDT

Lionel,

could you tell us what atoms are involved in your reaction
coordinate ? Are these atoms chemically bonded to constrained
degrees of freedom ?

Chris Chipot

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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 Vand½uvre-lès-Nancy Cedex

                            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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