[gmx-users] equilibrium for box of simulation

mohammad agha mra_bu at yahoo.com
Thu Oct 4 16:42:14 CEST 2012

Dear Mark,

So, when in the equilibrium stage, the box become small, there is one mistake in my system?
I don't know where is my mistake!

Best Regards

----- Original Message -----
From: Mark Abraham <Mark.Abraham at anu.edu.au>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Thursday, October 4, 2012 5:48 PM
Subject: Re: [gmx-users] equilibrium for box of simulation

On 5/10/2012 12:06 AM, mohammad agha wrote:
> Dear GROMACS Users,
> I asked this question before but I don't understand it!
> I placed several materials in my box of simulation for example box with 6nm*6nm*6nm and my materials are not placed in the smaller box but when I equilibrate my system, the box became smaller and temperature and pressure also equilibrate. my question is: is my system and equilibrate mistake, because of reach to smaller box? Is there equilibriums with reach to smaller box?

At least one of your volume, contents or model physics are not 
consistent with the others, but only you can say which.

gmx-users mailing list    gmx-users at gromacs.org
* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-request at gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list