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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Received on Tue Apr 22 2014 - 08:30:02 PDT
