you need to unfreeze it and apply AFM to pull it. Most probably, the
wall is infinitely large so it will move uniformly along the pulling
direction.
On 9/22/2007 5:40 AM, [EMAIL PROTECTED] wrote:
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
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