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Re^2: mcscf in a protein environment
alex
yakovenko.alexander@gmail.com
OMG, it really flies!!! I’ve updated my input with keywords from the perfomance page and mcscf run speeded up c.a. 20 times! The only my question is: Alex, why don’t you setup the performance optimized instruction as the default settings???>for documentation on MCSCF. You can also find some information here:
>http://classic.chem.msu.su/gran/gamess/mcscf.htmlhttp://classic.chem.msu.su/gran/gamess/mcscf.html
>Kind regards,
>Alex Granovsky
>
Fri Sep 19 '14 9:23pm
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