Re: pressure variation control (fwd)

From: <>
Date: Fri, 7 Mar 2003 09:12:35 -0800 (PST)

---------- Forwarded message ----------
Date: Wed, 5 Mar 2003 11:08:54 -0800
From: David A. Case <>
Subject: Re: pressure variation control (fwd)

On Wed, Mar 05, 2003, wrote:
> 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?

Look in the FAQ's at the Amber web site for "constant pressure"

> 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.

You are probably OK. Of course, just saying that the pressure varies
"a great deal" is not a very informative description of your (potential)


David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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La Jolla CA 92037  USA            |
Received on Fri Mar 07 2003 - 17:53:02 PST
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