[gmx-users] Constant Pressure just in z axis
chris.neale at alum.utoronto.ca
Thu Oct 5 17:02:50 CEST 2017
I set the pressure the same. Not sure if it matters or not.
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Iman Ahmadabadi <imanahmadabadi75 at gmail.com>
Sent: 05 October 2017 03:16:01
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Constant Pressure just in z axis
Thank you for your help, How about the value of pressure along X/Y
directions? does it matter the value of ref-p for X/Y while I use 0 for
water compressibility in X/Y direction ?
On Wed, Oct 4, 2017 at 6:47 PM, Iman Ahmadabadi <imanahmadabadi75 at gmail.com>
> Dear users,
> I would like to keep the pressure (1 bar) in the z direction and there is
> not any similar condition in X/Y directions, I mean it's not obligatory for
> keeping the pressure in a specific value in X/Y direction. Is the
> semiisotropic coupling sufficient to my purpose? If it is, which value
> should I use for each X and X/Y directions for pressure coupling?
> Iman Ahmadabadi
Sharif University of Technology, Tehran, Iran
Department of Physics and Chemistry
Phone: (+98) 9156125273
Email: Imanahmadabadi75 at gmail.com , ahmadabadi_i at ch.sharif.edu
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