AMBER Archive (2008)

Subject: Re: AMBER: pressure varies in constant pressure membrane simulation

From: Vijay Manickam Achari (vjrajamany_at_yahoo.com)
Date: Tue Apr 22 2008 - 23:10:54 CDT

Thank you sir.
Vijay.M

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

--- On Wed, 23/4/08, David A. Case <case_at_scripps.edu> wrote:
From: David A. Case <case_at_scripps.edu>
Subject: Re: AMBER: pressure varies in constant pressure membrane simulation
To: amber_at_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_at_scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu

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