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Re: Freezing all torsion angles

Denis Zavelev
denis.zavelev@gmail.com


Hello!

>How to freeze ALL torsion angles in a molecule while optimizing the geometry?
First of all, you need to use z-matrix (either z-matrix in $DATA section or cartesians in $DATA and the separate $ZMAT group). Then add an array like this: IFREEZ(1)=6,9,12 into your $STATPT group. This array should contain numbers of all of your torsion angles.


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