AMBER Archive (2001)

Subject: Re:

From: Elsa de Sousa Henriques (eshenriq_at_fc.up.pt)
Date: Tue Dec 11 2001 - 12:34:24 CST

Fumihito Mohri wrote:
>
> Dear Sir/Madam
> I have Gaussian98W. This program contains AMBER. Then,
> I have a question. Can AMBER be applied to searching
> conformations of many-atom-organic compounds?
> Best regards,
> MOHRI Fumihito
> Kaneka Corpolation, Japan

As far as I know, AMBER in Gaussian98 is not intended to
be used in "trivial" MM calculations, it is "attached" to the
ONIOM, IMOMO or IMOMM methods. For a start, it requires a
rather different input format from the regular AMBER program one
for coordinates, charges and topology (a rather cumbersome task
I should say). 

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Elsa F. Sousa Henriques             e-mail: eshenriq_at_fc.up.pt
Dept. Quimica, FCUP                  phone: +351-22-6082827
Rua do Campo Alegre, 687               fax: +351-22-6082959
4169-007 PORTO