question about the GAMESS-UK

From: maoxiang <xmao-0at0-iris.sipp.ac.cn>
Organization: iris.sipp.ac.cn
Subject: question about the GAMESS-UK
Date: Thu, 08 Jul 1999 17:03:01 +0900

Hi, everyone:
     I am using GAMESS-UK to search transition state. I can view the
 break of the bonds in MOLDEN, but I do not know which kind of the energy
 the gamess-UK gave is important, which one is the activation energy of
 the reaction. I have ask someone nearby , he says that I should do IRC,
 I know it can be done in MOPAC, but my problem is how I can do it in
 GAMESS-UK, and how I can know the point of the transition state in the
 energy curve. Hope to hear from you soon. Many thanks.
 Regards,
 Mao
   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 |  Mao Xiang                                                      |
 |  Lab of Molecular Regulation for Microbial Secondary Metabolism |
 |  Shanghai institute of Plant Physiology, Academia Sinica        |
 |  300 Fenglin Road, Shanghai, China, 200032                      |
 |  Tel: +86-21-64042090-4791                                      |
 |  Fax: +86-21-64042385                                           |
   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~