pressure variation control (fwd)

From: <>
Date: Fri, 7 Mar 2003 09:13:16 -0800 (PST)

---------- Forwarded message ----------
Date: Thu, 06 Mar 2003 13:33:15 +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,

Vlad Cojocaru 
Max Planck Institute for Biophysical Chemistry 
Department: 060 
Am Fassberg 11, 37077 Goettingen, Germany 
tel: ++49-551-201.1327 
home tel: ++49-551-9963204  
Received on Fri Mar 07 2003 - 17:53:02 PST
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