periodic boundary condition

Dear professors,

My simulation box is composed of two regions. I need to apply periodic boundary condition to each region separately. How can I do this? The "boundary" command can only apply periodic boundary condition to the whole box, not each component.

Best wishes,

Xiaohui She,
University of Wisconsin-Madison

Dear professors,

My simulation box is composed of two regions. I need to apply periodic boundary condition to each region separately. How can I do this?

You cannot. It doesn’t make any physical sense.

The “boundary” command can only apply periodic boundary condition to the whole box, not each component.