From: Aron Broom (broomsday_at_gmail.com)
Date: Tue Aug 21 2012 - 00:47:47 CDT
you should check the NAMD manual, I believe it mentions conjugate gradient,
but there are probably more details in there.
On Tue, Aug 21, 2012 at 12:45 AM, Aaron Oakley <aarono_at_uow.edu.au> wrote:
>
> 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
>
>
>
-- Aron Broom M.Sc PhD Student Department of Chemistry University of Waterloo
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