Subject: MD simulation

From: Paddy Kane <[email-masked]>
Date: Mon, 05 Nov 2001 16:28:25 +0000

Hi,

 I am due to demonstrate molecular modelling to several secondary school
(high school) students next week. I would like run a molecular dynamics
simulation. I am wondering if anyone could supply me with a file that I
run with HyperChem. Or is there is a web site where I could download
appropriate HyperChem or movie files of MD simulations. I am aware that
I can run simulatons while connected to the Internet but the location of
the PC to be used in the demonstration will be such that connecting it
to the Internet would be very difficult. Therefore, I really would
prefer to run the simulations while offline.

 Best rgds,
 Paddy.

Paddy Kane, Ph.D., MRSC
School of Chemical Sciences
Dublin City University
Dublin 9
Ireland

Tel.: +353-1-700-8185 /
        +353-1-700-8193
Fax: +353-1-700-5503

E-mail: [email-masked]