And note that you won't get exactly the same result even with a specific
random seed if you use multiple processors. (An issue that has been
discussed several times, I think. It is related to differences in rounding
by adding up results from processors in a different order each time.)
On 22 April 2014 16:03, Christopher A Thiebaut <cthieba.purdue.edu> wrote:
> What do you mean by too different? How different are they? If it's just
> a little bit different, then it's likely just because you have a different
> random seed. If so, try running it but specifying ig to some positive
> integer in your mdin file and see if you get the same result each time.
>
> Chris Thiebaut
> Graduate Student
> Purdue University
>
> ----- Original Message -----
> From: "zahra khatti" <zkhatti2000.yahoo.com>
> To: AMBER.ambermd.org
> Sent: Tuesday, April 22, 2014 10:55:25 AM
> Subject: [AMBER] diferent results
>
> Dear amber users
>
> I have simulated one initial configuration on two different system
> under the same conditions but the results are too different.
> Is this issue reasonable?
>
> Z. Khatti, Ph.D student of Physical Chemistry,
> Department of Chemistry, Iran University of Science & Technology,Tehran,
> Iran
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>
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Received on Tue Apr 22 2014 - 08:30:03 PDT
