AM1 vs PM3
One of our graduate students asked me the following question. Not
being an ab initio expert (or novice or anything) I thought I would
pass the question on to the net.
What are the differences between AM1 and PM3? How do the algorithms
differ? Any noticable differences in calculations? Any pros or cons
about the two programs you would care to share?
If there is interest, I can summarize for the net.
Thank you for your time.
Jeff Nauss
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* UU UU Jeffrey L. Nauss, PhD *
* UU UU Director, Molecular Modeling Services *
* UU UU Department of Chemistry *
* UU UU CCCCCCC University of Cincinnati *
* UU UU CCCCCCCC Cincinnati, OH 45221-0172 *
* UUUU CC *
* CC Telephone: 513-556-0148 Fax: 513-556-9239 *
* CC *
* CCCCCCCC e-mail: nauss' at \`ucmod2.che.uc.edu
*
* CCCCCCC Jeffrey.Nauss' at \`UC.Edu
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