CCL: Simulated Annealing -Turbomole
- From: Gopakumar <gopakumar*chem.kuleuven.be>
- Subject: CCL: Simulated Annealing -Turbomole
- Date: Wed, 11 Apr 2007 16:14:22 +0200 (CEST)
Sent to CCL by: Gopakumar [gopakumar=-=chem.kuleuven.be]
Hello,
Has any body got any experience in performing simulated annealing with
Turbomole. Is there any tutorial or sample input files for some simple
molecules, so that one can test, learn and perform it by himself/herself.
any help is much appreciated
-Gopakumar
__________________________________________________________
G. Gopakumar,
Division of Quantum Chemistry and Physical Chemistry,
Department of Chemistry, University of Leuven,
Celestijnenlaan 200F, B-3001 Heverlee (Leuven), Belgium.
e-mail: gopakumar[-]chem.kuleuven.be
Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm