From: Jérôme Hénin (jerome.henin_at_uhp-nancy.fr)
Date: Thu Feb 19 2004 - 11:48:13 CST
> In the tutorial for NAMD, the example involves solvating a protein in a
> waterbox and using Langevin to control temperature and pressure. Is this
> langevin dynamics / molecular dynamics ?
In short : yes, it is Langevin dynamics.
> Can anyone please explain !
The topic is quite broad. I don't think anyone will give you a course on how
to do constant-temperature MD by mail, on this mailing-list. Could you be
more specific on what kind of explanations you want ?
We'll be happy to help.
-- Jérôme Hénin Equipe 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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