Khimich
khimich@kinet.chem.msu.ru
I tried to use TRUDGE. This is very slow method. It optimize only limited number of coordinates. I recommend you to use programs with TDDFT gradient. Unfortunately the ones I know slower and less easy-to-use than the Firefly.
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Sun May 16 '10 9:55am![[ Reply ]](/ceilidh-icons/ceil_rep.gif){kind=icon}
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