From: Axel Kohlmeyer (
Date: Tue May 11 2010 - 15:27:44 CDT

On Tue, May 11, 2010 at 3:47 PM, <> wrote:
> Hi
> I have a molecular model with two different types of molecules ( say A and B)
> I want to set the constraints to molecule-A like this : Free in Z -
> direction and fixed in X , Y direction. This can be done under constraint
> setup.I am OK with that. but in the same model,
> I want set the constraints to molecule-B like this: Free movement in X , Y
> direction. Free movement in Z direction but between Z = -2 to Z= +2.
> Is there any way to set up this kind of constraints?

you might be able to use tclBC for that by
defining a boundary potential.


> Thanks
> Ravi

Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.