[gmx-users] equilibrium for box of simulation

mohammad agha mra_bu at yahoo.com
Thu Oct 4 16:06:28 CEST 2012

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?

I thanks from you for help to me.
Best Regards

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