Re: Minimizer

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Wed Apr 11 2007 - 19:01:17 CDT

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This isn't available (although the default minimizer usually performs
quite well). NAMD includes a conjugate gradient minimizer and also has a
(much less efficient) velocity quenching minimizer available
(http://www.ks.uiuc.edu/Research/namd/2.6/ug/node29.html#8188).
Peter

Ayşe Özlem Sezerman wrote:
> Hi to All,
>
> As far as I know , namd uses conjugate gradient minimizer ; do we
> have an option to use Newton minimizer in NAMD?
>
> Thanks a lot
>
> Ozlem

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