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Re^4: Long time optimization

Khimich
khimich@kinet.chem.msu.ru


Thanks, this helped. Number of steps was reduced by half.


On Sat Feb 26 '11 12:12pm, Alex Granovsky wrote
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>
 $zmat hbond=0.0 $end

>In addition, optimization is faster with default optimizer (gdiis).


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