Subject: Any idea about spartan?

From: William Wei <[email-masked]>
Date: Tue, 27 Nov 2001 11:35:49 -0500

Hi, dear CCLers,

Does anyone use spartan? Could you please give me some comments on the
software compare to gaussian. I am now using the demo version of
spartan, the support said it is full version with the time limit. While
I do geometry optimization on my peptide-like compound under MP2/6-31G*
or DF/DN*, if I constrain the dihedral angle of peptide (related) bone,
then it seems the program went into a dead cycle, and did not give any
further step energy output, or the energy became larger and larger. I do
not know what wrong with it. Could anyone who have used the program give
me some idea about that? Any reply is appreciated.

Thanks, have a good day.

William.

--
William Wei                    Tel: 1-416-946-7551 (Lab.)
Faculty of Pharmacy            Fax: 1-416-978-8511
19 Russell Street              Email: [email-masked]
Toronto, ON. M5S 2S2, Canada          [email-masked]