Subject: MOPAC minimum

From: Sharifuddin Mohd Zain <[email-masked]>
Date: Tue, 20 Feb 1996 10:17:35 +0800 (MYT)

dear netters,

what is the best way to reach a minimum in the energy surface?
i tried optimizing phenylcarbazole using the default optimizer, then 
tuned it using NLLSQ..i reached a transition state instead of a minimum..

what's the best way to get out of this?..besides starting the calculation 
with a new starting structure?

any help would be highly appreciated.

thanks in advance..

smz
 ................................................................................

Dr. Sharifuddin Mohd Zain
Jabatan Kimia,
Universiti Malaya,
Malaysia.