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  Home > JCE Print > Journal of Chemical Education > Issues > 1995  > December  >
General Interest
Abuses of Molecular Mechanics: Pitfalls to Avoid
Kenny Lipkowitz
Indiana University Purdue University at Indianapolis, 402 North Blackford Street, Indianapolis, IN 46202
Cover
December 1995
Vol. 72 No. 12
p. 1070
Abstract
A tutorial on common pitfalls to avoid when using molecular mechanics is presented. The author divides these problems into those derived from the software like using inadequate potential functions, poor parameters, wrong optimizers, and those originating from the scientist who introduces computational artifacts and improperly compares or interprets results.
More Information
*  Citation
 Lipkowitz, Kenny B. J. Chem. Educ. 1995 72 1070.
*  Keywords
*  History
 Created:
Last Updated:		 10/1/1999
5/22/2006
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