Subject: Modifying UFF parameters for an ONIOM calculation

From: "Crous Werner <wcrous = sun.ac.za>" <wcrous = sun.ac.za>
Date: Mon, 13 Jun 2005 18:03:04 +0200

Dear CCL

I am a student working with ONIOM in g03. Is it possible to modify the
UFF-forcefield parameters for an ONIOM calculation in g03 and what is
the input? If not, can someone perhaps give me advice on how to proceed
to do this by using other software et cetera? I could not find an answer
on the internet. I would appreciate any help. Thank you in anticipation.

Yours sincerely

Werner Crous

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Werner Crous

MSc. student

Department of Chemistry and Polymer Science

University of Stellenbosch

Tel. +27  218083779

Cell. +27 824093822

Email:wcrous = sun.ac.za

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