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

[Yang Ye]

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, wendung at umich.edu 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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