| Dear KS I have another idea if you have GaussView and hope to hear your comment on it. Open your molecule using GaussView, then open Atom List Editor, Click on "Oniom data" under "Columns". By these, you will get a colum called "Freeze". All values in these colums are set to zero, menas free to optimize. you can change this value to -1 (or other negative values) for all atoms you want to freeze. After you finish, press "Cntrl + G" and choose method and tick "Multiply Oniom Layer". And press submit, it will ask you to save, press yes and save your input file and then after Saving, cancel the submission job. now, open your saving input file, and cut your atom coordinates and paste it in your ready files for submission (you DON^-^T need to define ONIOM method in your route section). That's all. This is the most easy way to freeze alot of atoms in your system, we use it in ONIOM methods, but it works (with me) for other systems. Sincerely; M. Ibrahim Mahmoud A. A.
Ibrahim Current
Address School of Chemistry, University of Manchester, Oxford Road, Manchester, M13 9PL, United Kingdom. Mahmoud.Ibrahim-2^-^postgrad.manchester.ac.uk Home
Address Chemistry Department, Faculty of Science, Minia University, Minia 61519,Egypt. M.Ibrahim1982^-^yahoo.com Mobile Phone No.: +20102554083
Land Phone No.: +20226635916 Fax No.: +20862342601 --- On Tue, 6/9/09, Close, David M. CLOSED:_:mail.etsu.edu <owner-chemistry^-^ccl.net> wrote:
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