Re: [AMBER] Running MM-PBSA at different temperatures

From: manoj singh <mks.amber.gmail.com>
Date: Mon, 20 Sep 2010 21:29:25 -0400

Temperature affects the kinetic energy (velocity infact), and kinetic energy
is not the part of MM-PBSA.

What you want to do exactly?

--
On Mon, Sep 20, 2010 at 8:39 PM, Khaled Barakat <kbarakat.ualberta.ca>wrote:
> Hello,
>
> I'm trying to run mm-pbsa at different temperatures to analyze the
> effects of temperature on the binding of a protein-DNA complex. I was
> wondering if there is a way to specify the running temperature as a
> parameter for the mm-pbsa script. I tried to set the temp variable to
> the desired temperature, but it seems there is no effect. I am using
> the mm-pbsa perl scripts with amber 10.
>
> Your help is so much appreciated.
>
> Thanks,
> Khaled
>
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Received on Mon Sep 20 2010 - 19:00:03 PDT