From: [email-masked] (Mark J Forster )
Date: Mon, 4 Nov 1996 09:45:11 -0800

Dear Emadeddin

In response to your question on quantum chemical MD I should 
point out two MSI products that might be of interest.

QuanteMM is a hybrid QM/MM code that treats the molecular mechanics 
portion of a system using Discover_3, while small regions of interest
that need to be treated by quantum mechanics can use Turbomole, Dmol
or MOPAC. The QuanteMM module is accessed through the insightII 
interface. Current capabilities allow for single point minimization
and geometry optimzation.

Fast_Struct/Sim_Ann is a high speed DFT based code that can be used for
the calculation of energy, gradients, geometry optimization and for 
simulated annealing MD studies. Again Fast_Struct/Sim_Ann is accessible
via the insightII interface. 

Best Wishes

Mark J Forster
Manager Protein Applications Product Development
Molecular Simulations Inc.
9685 Scranton Rd,
San Diego, CA 92121, USA.
Phone (619) 458 9990
FAX   (619) 458 0136
e-mail: [email-masked]
WWW:	http://www.msi.com/