pressure variation control (fwd)

From: <>
Date: Wed, 5 Mar 2003 10:05:29 -0800 (PST)

---------- Forwarded message ----------
Date: Wed, 05 Mar 2003 11:19:49 +0100
From: Vlad Cojocaru <>
Subject: pressure variation control

Dear Amber users,
  I have a question about the variation of pressure during a constant
pressure MD run. What would be an accetable limit for this variation.
What test can one apply for deciding if the variation is acceptable or not?
 I have several runs in which the presure varies a great deal but the
average is still very close to 1 and the structures look ok.
 Couls somebody guide me a bit through this problem?
Thanks a lot,
Received on Wed Mar 05 2003 - 18:53:01 PST
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