|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?
|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?