Subject: MM atom types in Gaussian98/03

From: ManojKumar <manojkumar_tk-.at.-yahoo.com>
Date: Mon, 1 Dec 2003 21:49:22 -0800 (PST)

Dear CCL Community,

We would like perform QM/MM (MM using amber force field) calculations of
some biological system using Gaussian package. Some of the MM atom types
are not defined in the Gaussian Programme ( for example Cl, sulphur atom
of (CH3)3S+ , atom types of NAD+/NADH ). We wish to include these atom
parameters in the input stream. We looked at the Gaussian mannual - it
does not help. 

If anybody knows on how to include extra MM/amber parameters in the input
stream, please help. Your kind suggestions would be highly appreciated.

Sincerely yours,

Manoj

---------------------------
T. K. Manoj Kumar
Department of Chemistry
Pohang University of Science and Technology
San 31, Hyojadong, Namgu
Pohang 790-784, Korea
Phone : 82-54-279-5853 ( Lab ) / 279-4138 ( Appt )
Fax : 82-54-279-8137 (or +82-54-279-3399) 
Web : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e

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