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Long time optimization

Khimich
khimich@kinet.chem.msu.ru


Sometimes the optimization requires a lot of iterations. For example, if there is SO2R - group, for some dihedral angles rotate very slowly. Is there any way to speed up the calculation?

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[ p1_1.rar ] output file

[ This message was edited on Fri Feb 25 '11 at 3:35pm by the author ]


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