Subject: Re:MM type in G03

From: "xiongying" <yxiong/at/mail.ccnu.edu.cn>
Date: Tue, 16 Dec 2003 21:20:15 +0800

Hi,
   You can add force field parameter in G03. Please see the manual of G03: the section" Molecular Mechanics Methods". You can also see the example file" test528.gjf" in G03.
  
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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