Subject: TS optimization with restraints in G98

From: alewand$at$medusa.bioc.aecom.yu.edu
Date: Thu, 29 May 2003 16:11:40 -0400 (EDT)

I 'm making optimization of transition state structure with
restraints imposed especially along reaction coordinate.

I got some converged structures on semiepmirical level with only 
one negative frequency (probably on DFT 
it will be more difficult to converge) but I still consider if approach is 
correct. 
Thank you for every regards concerning this calculation.

Andrzej