Re: Question:about harmonic restraint decrease!

From: Jérôme Hénin (jerome.henin_at_uhp-nancy.fr)
Date: Fri Nov 26 2004 - 03:22:51 CST

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A similar behavior is implemented in the free energy of conformational change
module, see:

http://www.ks.uiuc.edu/Research/namd/current/ug/node33.html

Jerome

> hi,all:
> I have a question about the harmonic constraints.that is how to decrease
> the harmonic restraints gradually automaticly.such as at the beginning add
> 100 kcal/mol constraints in equI ,and 10ps later decrease to 50
> kcal/mol.....
>
> kai
> --
> USTC Alumni Email System

-- 
Jérôme Hénin
Equipe de Dynamique des Assemblages Membranaires
Université Henri Poincaré / CNRS    UMR 7565
B.P. 239        54506 Vandoeuvre-lès-Nancy Cedex
Tel : (33) 3 83 68 43 95        Fax : (33) 3 83 68 43 71
http://www.edam.uhp-nancy.fr/

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