AW: energy minimization

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue Aug 21 2012 - 01:24:22 CDT

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--> Manual? <--

> -----Ursprüngliche Nachricht-----
> Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im
> Auftrag von Aaron Oakley
> Gesendet: Dienstag, 21. August 2012 06:46
> An: namd-l_at_ks.uiuc.edu
> Betreff: Re: namd-l: energy minimization
>
>
> NAMD uses a conjugate gradient and line search algorithm.
>
> On 21/08/2012, at 2:24 PM, yandong Huang wrote:
>
> > Hi, everyone,
> >
> > we use commond "minimize" to optimize the initial configure, what i
> want to know is what kind of algorithm the NAMD adopts to minimize the
> energy. thanks!
> >
> >
> > Best,
> > Yandong,
> >
> >
>
> A/Prof Aaron Oakley
> School of Chemistry
> University of Wollongong
> Northfields Avenue
> Wollongong, NSW, 2522
> Australia
> Phone: (02) 4221 4347
> Fax: (02) 4221 4287
> Email: aarono_at_uow.edu.au

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