Re: [AMBER] NaN error in .rst files

From: case <>
Date: Wed, 26 Jan 2011 09:04:16 -0500

On Wed, Jan 26, 2011, Marek Maly wrote:
> I recently also obtained NaN problem in one of my simulation using
> pmemd.cuda on GTX 470:
> see - relevant data below. Unfortunately it is unreproducable as I am
> using ig=-1.

You *can* re-run things in this circumstance: pmemd will print out the value
of the random seed that was actually used, and you can put that back into
your input file. This can be helpful to see if the problem is the same every


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Received on Wed Jan 26 2011 - 06:30:07 PST
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