Re: ABF on a single molecule

From: Ugur Akgun (ugur_iowa_at_hotmail.com)
Date: Mon Nov 06 2006 - 16:33:24 CST

Thanks a lot Chris;
I had a little difficulty to understand how to use the different types of
abf coordinate fies.
I think it is working now, I'll check the results and get back to you...
cheers

>From: Chris Chipot <Christophe.Chipot_at_edam.uhp-nancy.fr>
>To: Ugur Akgun <ugur_iowa_at_hotmail.com>
>CC: namd-l_at_ks.uiuc.edu
>Subject: Re: namd-l: ABF on a single molecule
>Date: Mon, 06 Nov 2006 22:19:17 +0100
>
>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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