From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Thu Aug 31 2006 - 15:38:49 CDT
The short answer is that you can't, except for the ancient and inefficient
velocityQuenching method. My understanding of Powell is that it is for
problems where a gradient is not available, so why would you choose it?
-Jim
On Thu, 31 Aug 2006, Per Jr. Greisen wrote:
> Hey,
>
> When I start my minimization of the protein without defining any
> minimization algorithm NAMD uses conjugated gradient - how do I change to
> steepest descent and is it possible to use Powell dog or link to it
> instead?
>
> Thanks in advance
>
>
> Best Regards
>
> Per Jr. Greisen
>
>
>
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