Re: steepest descent technique

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Thu Jun 05 2008 - 08:32:43 CDT

Hi Deepesh,
I don't believe so, but you can get something very similar by using
velocityQuenching (turn on velocityQuenching and then use run X to run X
steps). This method removes all velocity from all atoms at each step,
which gives you a similar effect. See
http://www.ks.uiuc.edu/Research/namd/2.6/ug/node29.html#8242 for more
details.
Best,
Peter

DEEPESH AGARWAL wrote:
> Hi all,
>
> Can we minimize our potential functions using steepest descent
> technique along with default conjugate gradient technique embedded in
> the NAMD...If yes, please send me the tcl script to be written in the
> config. file to implement the above. Otherwise suggest me some other
> way to use both of them one after the other. Thanks.
>
> Deepesh
>

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