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Hello CCL
I have a problem in fixing the Cartesian coordinates in an ONIOM calculation with g03. I have used opt=(Modredundant) and I did give the correct input after the cartesian coordinates, but when I run the calculation my coordinates are changed in the MM-layer and do not stay fixed. Is it possible to fix the coordinates in g03? I would really appreciate any help. Thank you.
Werner
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Werner Crous MSc. student Department of Chemistry and Polymer Science University of Stellenbosch South Africa Tel. +27 218083779 Cell. +27 824093822 Email:wcrous/at/sun.ac.za ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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