Re: AMBER: pressure varies in constant pressure membrane simulation

From: Vijay Manickam Achari <vjrajamany.yahoo.com>
Date: Wed, 23 Apr 2008 04:10:54 +0000 (GMT)

Thank you sir.
Vijay.M

Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
Malaysia
vjramana.gmail.com

--- On Wed, 23/4/08, David A. Case <case.scripps.edu> wrote:
From: David A. Case <case.scripps.edu>
Subject: Re: AMBER: pressure varies in constant pressure membrane simulation
To: amber.scripps.edu
Date: Wednesday, 23 April, 2008, 2:31 AM

On Tue, Apr 22, 2008, Vijay Manickam Achari wrote: I am simulating membrane in water. I realize that, the pressure values in *.out file not showing constant value. It always fluctuate from negative values to positive values example ( 80, -24, 180, -248) and so on... Is this correct? Since I am running contant pressure simulation..... First: please post as plain text, not as html. Second: this is an FAQ: http://ambermd.org/Questions/pressure.html ....dac ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber.scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu


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Received on Wed Apr 23 2008 - 06:08:04 PDT
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