Re: [AMBER] QM method

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Tue, 09 Oct 2012 18:03:48 +0200

Dear Mannan,

> I would like to use QM method to an unusal aminoacid, which is not
> in any libraries,
>  
> What would be the best way to do it in an academic lab?

You might be interested in R.E.D. and R.E.D. Server at
q4md-forcefieldtools.org
See tutorials there; for instance:
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#15
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#16
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#1è
   vs
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#24
   vs
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#25

regards, Francois



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Received on Tue Oct 09 2012 - 09:30:06 PDT