[gmx-users] Gaussian 03 and Gromacs

Rahul B Kasat rkasat at ecn.purdue.edu
Wed Mar 14 14:46:16 CET 2007


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
>
> -- 
> http://www.fastmail.fm - Access your email from home and the web
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>



More information about the gromacs.org_gmx-users mailing list