Article ID: 712 - Last Modified: December 4, 2010
I find that an XP Refinement job flips one of my urea-compound C-N dihedral angles 180 degrees. Is that a reasonable result?
No, although refinement can produce changes in torsional angles. This problem has been resolved in the Suite 2010 release of the software.
Keywords: urea amide, XP Refinement, flip
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