Subject: [gmx-users] gromacs QM/MM

[Gerrit Groenhof]

Although there is not much interface specific information, you can check 
one of our recent papers, eg.  L.V. Schaefer et al., PLoS computational 
biology, 4 (2008), e1000034.

More information on how to build up the interface on the gaussian side 
you find on wwwuser.gwdg.de/~ggroenh

Gerrit

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> Message: 3
> Date: Wed, 18 Feb 2009 12:12:12 +0100 (CET)
> From: "Jacopo Sgrignani" <sgrignani at cerm.unifi.it>
> Subject: [gmx-users] gromacs QM/MM
> To: gmx-users at gromacs.org
> Message-ID:
> 	<4583.79.44.176.168.1234955532.squirrel at alpha.cerm.unifi.it>
> Content-Type: text/plain;charset=iso-8859-1
>
> Hi
> I would like to use the gromacs/Gaussian03 interface and i would like to
> know if there are any papers with data obtained using this interface.
>
> Thanks a lot
>
> Jacopo
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