[gmx-users] Gaussian 03 and Gromacs

[Rahul B Kasat]

You can use NewZMat in Gaussian to convert the output file into PDB. 
then you can convert it into .gro

- Rahul

On Wed, 14 Mar 2007, Karina Mai wrote:

> Hi,
>
> does anyone know about a tool that creates me
> an '.itp'-file (and a '.gro'-file) from the output
> of the quantum mechanics software package 'Gaussian 03'  ???
>
> Please let me know. Thanks.
>
> K
>
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