[gmx-users] equilibrium for box of simulation

Mark Abraham Mark.Abraham at anu.edu.au
Thu Oct 4 16:18:53 CEST 2012

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.


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