[Xplor-nih] Metal-cluster

Charles at Schwieters.org Charles at Schwieters.org
Tue Apr 17 11:02:26 EDT 2007


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Hello Hongyan--

> Thanks for your advice. I don't know how to vary Cd-S distances and
> angles when generating PSF file. Any suggestions?

Try lowering the force constant for the relevant bonds and angles.

best regards--
Charles
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