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Re^4: Freezing all torsion angles

Khimich
khimich@kinet.chem.msu.ru


On Thu Apr 8 '10 3:17pm, Alex Granovsky wrote
---------------------------------------------
>Hi,

>if you meant whether is it possible to do this completely
>automatically using e.g. DLCs, the answer is definitely NO.

Thank you. Unfortunately I can not freeze more than one torsion angle.
$ ZMAT DLC = 1 AUTO = 1 IFZMAT (1) = 3,11,1,12,17, 3,1,2,3,4 $ END

OUT OF BOUNDS REFERENCE FOR ARRAY IFZMAT
**** ERROR READING INPUT GROUP $ ZMAT *****
THE PROBLEM IS WITH THIS CARD, BEFORE OR NEAR THE $ POINTER
 $ ZMAT DLC = 1 AUTO = 1 IFZMAT (1) = 3,11,1,12,17, 3,1,2,3,4 $ END
                                                  $

Moreover, each angle separately frozen successfully. For example -
$ ZMAT DLC = 1 AUTO = 1 IFZMAT (1) = 3,1,2,3,4 $ END - works.


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