Box dimension in NPT simulation, during fixed boundary condition.

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1

Hi all,
During NPT simulation in PPF boundary condition I observe that X and Y dimension is not changing in proportion way or in the same manner. I am using the following command line:

fix 1 all npt temp $t $t 2.5 x 1 1 100 y 1 1 100 drag 0.2

Can anyone help me regarding this?

Thanks

CHandan

2

Hi all,
During NPT simulation in PPF boundary condition I observe that X and Y
dimension is not changing in proportion way or in the same manner. I am

why should they? you didn't tell them to be coupled.

using the following command line:

fix 1 all npt temp $t $t 2.5 x 1 1 100 y 1 1 100 drag 0.2

Can anyone help me regarding this?

please help yourself to another dose of the fix npt documentation and
look for the couple keyword,

axel.