I *suspect* that added them will be easy.
I am not a chemist and am not familiar with these parameters.
You need to give me a little more background information ... 50 words or less.
Are they general parameters that describe the entire model?
Or are they specific to a single atom?
Or are they specific to a single bond?
Or something else?
Miguel,
forget it - this is already being worked on and you and I have discussed that problem two weeks ago. You are overworked :-)
Cheers,
Chris
-- Dr. rer. nat. habil. Christoph Steinbeck ([EMAIL PROTECTED]) Groupleader Junior Research Group for Applied Bioinformatics Cologne University BioInformatics Center (http://www.cubic.uni-koeln.de) Z�lpicher Str. 47, 50674 Cologne Tel: +49(0)221-470-7426 Fax: +49 (0) 221-470-7786
What is man but that lofty spirit - that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3..
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