Torsion Angle

From NWChem

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Good morning,

is there a way to fix a torsion angle during a calculation?

Edit: I try it now with:

ZCOORD
 torsion 2 5 1 3 0.000 D01 constant
END

inserted IN the geometry section of the input file.

Can somebody confirm that this is in deed fixing the torsion angle during an optimization? Also, what does D01 mean? I could not find a clear answer in the documentation.

Thanks in advance.
Markus
Edited On 5:02:19 AM PST - Tue, Feb 11th 2014 by Mark


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