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April 1, 2020

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Unregistered guest
Posted on Friday, June 27, 2008 - 12:01 pm:   

WebMO jobs using MOPAC2007 had been failing suddenly. The output files of those jobs reported the mopac license had expired. After obtaining a new mopac binary and license key, we find the WebMO mopac jobs still fail even though we can run them from the command line just fine. Any ideas?
Gary Washington
Unregistered guest
Posted on Wednesday, April 14, 2010 - 10:24 am:   

I have webmo 9.1.002e pro and I find that if I build and optimize the transition state of HCN using mopac2009 with precise the subsequent vibrational freq calculations always reports the gradient is too large. If I do the same run outside of webmo then all is fine. This result seems to suggest that the parsing may be at fault. Do you have any suggestions?

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