Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
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
-----------------------------------------------
>
$zmat hbond=0.0 $end
>In addition, optimization is faster with default optimizer (gdiis).
Sat Feb 26 '11 7:11pm
This message read 802 times