Subject: Gaussian98W's AMBER input

From: "Telkuni" <[email-masked]>
Date: Mon, 19 Aug 2002 22:03:43 +0900

Hello CCLers,

I'm a novice user of molecular mechanics(MM) and planning to do 
Base-Pair's MM calculation with Gaussian98W's AMBER function.

However, there is a guidance of  Gaussian's AMBER on the G98 
user's reference(page122), it is too short to make actual input.

Maybe, I think, when one want to do AMBER calculation on a molecule, 
he must search and apply the molecule's peculiar atomic parameters 
such as Fig-5 of "W.D.Cornell et.al, J. Am. Chem. Soc. 117, p5179 (1995)".
(on RNA, it's Fig-6.)

Is above correct?

And, must one search and apply the each atomic parameters even a small 
molecule? (for example, even though CH3OH ?, where is its parameters?) 

Any replies I will appreciate and make the summary.

Thank you.

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               Telkuni Tsuru     

  Kyushyu Electronic Technology and Research

          [email-masked]
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