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Problem with internal coordinates
Explain, please, that means number in brackets and numbers after a sign =.
These are numbers of atoms or values I-J bond length,I-J-K bond angle, etc.?
Example - a nonlinear triatomic, atom 2 in the middle:
$ZMAT IZMAT(1)=1,1,2, 2,1,2,3, 1,2,3 $END
I have already read through a file INPUT.doc :)
Sun Sep 12 '10 10:58pm
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