ESP/POLAR Problem in MOPAC97
Greetings!
Thanks to all those who responded to my last question concerning
asterisks in my MOPAC output (due to the numbers being larger than the
output file was able and willing to print).
I've another one for anybody. When I run a MOPAC input file with
both POLAR and ESP, I get the POLAR output fine, but get "nan" for all
of
the ESP's for the atoms. When I run either seperately, I get the results
I expect for each.
Is there a known problem with running both ESP and POLAR in the
same calculation, or is there some quick fix I'm not finding in the
manual?
thanks in advance,
Damian Allis
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