Subject: Query

From: "KRISHNA BISETTY" <[email-masked]>
Date: Mon, 14 Apr 1997 09:12:00 +200

Dear computational chemists,

I successfully optimised two small peptide molecules separately using
G92W, installed on a 486DX  computer used  specifically to run the Nicolet
Impact series FT-IR.

After each optimization, the settings on the OMNIC software, used to run
the FT-IR change. Is this probably due to the  computation itself?

"Is it a good idea to run any computational software packages, which are
installed on a PC  dedicated to a particular  Analytical instrument?"

Any suggestions would be greatly appreciated.

Best wishes
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Vincent Bisetty
Department of Chemistry
ML Sulatn Technikon 
Durban
South Africa
[email-masked]
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