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<font face="serif">Students -- in some of the examples you will need
to specify GEO-OK for the Mopac calculations. This should go in
the "Additional Keywords" (not External Parameters) box on the
Advanced setup pane for the computational engines.<br>
<br>
Likewise, if you get a failure because the output file says that
the molecule was "linear", then click on the "Cartesian
Coordinates" box on the advanced pane to make this error go away.
This also should help some of the calculations that failed with
GAMESS also succeed.<br>
<br>
<br>
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<pre class="moz-signature" cols="72">--
Andrew J. Pounds, Ph.D. (<a class="moz-txt-link-abbreviated" href="mailto:pounds_aj@mercer.edu">pounds_aj@mercer.edu</a>)
Professor of Chemistry and Computer Science
Mercer University, Macon, GA 31207 (478) 301-5627
<a class="moz-txt-link-freetext" href="http://faculty.mercer.edu/pounds_aj">http://faculty.mercer.edu/pounds_aj</a>
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