[gmx-developers] Re: Python interface connecting Gromacs and BioSimGrid

Michael Banck mbanck at gmx.net
Fri Oct 17 22:33:04 CEST 2003

On Fri, Oct 17, 2003 at 12:31:06PM +0200, David van der Spoel wrote:
> Others, like .g96 have already been implemented in
> openbabel, although it wouldn't be a big problem to do so. 

I fixed the Gaussian file format in openbabel a while ago, when I used
Gaussian myself. I wouldn't call it perfect though, and I did not look
at g03 yet. Any hints on whether openbabel works nice with whatever
Gaussian version is greatly appreciated, as well as bug reports :)


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