[gmx-users] How to move a rigid wall?

[wendung at umich.edu]

Hi all,

I am doing tribology study. My system contains several oil molecules 
and they are confined within two rigid walls (PBCs perpendicular to the 
walls are used). To define the rigid wall, I set the atoms of the wall 
as freeze-group. Now I want to move the rigid wall to either compress 
the oil molecules or move two rigid walls parallelly to see how the 
movement will influence the motion of oil molecules. I figured out that 
once the atoms are set as freeze-group they will not move at all. Could 
someone advise me how to let the frozen atoms to move intentionally?

Thanks,

W. D. Hsu
Department of Mechanical Engineering University of Michigan