Re: [AMBER] What ab initio methods can be choose for QM/MM package in AMBER10?

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Fri, 2 Jul 2010 07:40:03 -0300

Hi Catein,

Amber has no ab-initio methods available. It has a number of
semi-empirical methods available, and it's described in the manual. If
you need to use ab-Initio methods, then you need to install PUPIL (see
pupil.sourceforge.net).

Gustavo.


On Friday, July 2, 2010, Catein Catherine <askamber23.hotmail.com> wrote:
>
> Dear Sir/Madam,
>
>
>
> I could like to use QM/MM for my study.  Could you mind to let me know where to find QM protocols available in AMBER10?
>
>
>
> Best regards,
>
>
>
> Catherine
> 

-- 
Gustavo Seabra
Professor Adjunto
Departamento de Química Fundamental
Universidade Federal de Pernambuco
Fone: +55-81-2126-7417
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Received on Fri Jul 02 2010 - 04:00:03 PDT
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