tcl boundary forces

From: Giovanni Bellesia (
Date: Fri Apr 14 2006 - 13:26:16 CDT

Hi there,
two peptides in a periodic water box.
I'd like to apply tcl boundary forces to constrain the motion of the
two peptides ONLY within a spherical volume.
Water has not to be affected by those forces.
I took a look at pp 74-77 on the UG and I was thinking about the most
efficient way to modify the script at pp 76-77 in order
to have only the peptides (and not the water) affected by the spherical
harmonic potential.
Any ideas ?

Giovanni Bellesia
Department of Chemistry & Biochemistry
University of California, Santa Barbara
Santa Barbara, California 93106-9510

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