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December 12, 2019

MOPAC atom limit? Log Out | Topics | Search
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WebMO Support Forum » Administering WebMO » Other » MOPAC atom limit? « Previous Next »

Author Message
Bob Gotwalsw
Posted on Saturday, July 30, 2005 - 9:03 am:   

Jobs fail with a molecule greater than 80 atoms in MOPAC. Is this a known MOPAC limitation, or something in WebMO. If the latter, can it be modified?
schmidt
Posted on Sunday, July 31, 2005 - 1:48 pm:   

This is a MOPAC limitation, but one that can easily be modified by downloading the source code, changing the SIZES files, and then recompiling the source code.

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