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[lammps-users] Adjusting pressure
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[lammps-users] Adjusting pressure


From: Omar Khalil <omaralkhalil88@...24...>
Date: Thu, 28 Sep 2017 09:09:15 +0200

Dear all,

I have a system containing water molecules confined between two parallel solid walls. I want to move the walls in the perpendicular direction (z) to adjust the initial pressure to a specific value. How can I do it? 
It should be noted that I am using pppm algorithm with slab correction and so due to non-periodic condition in z direction, I cant use NPT ensemble.

Best wishes,
Omar