| 2:41:13 PM PST - Sun, Feb 13th 2011 |
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I still haven't figured this out. Here is a much simpler input file for DFT/COSMO optimization of a small molecule.
http://www.amber.utah.edu/biodata/cosmo-opt.nw
(I would directly post it, but there seems to be a limit on the size of the post)
Using this input, the job will appear to be doing something, but the geometry does not change significantly and the "sol phase energy" doesn't either.
Any help would be great. Thanks,
--Niel
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