[gmx-users] Re: gromacs-gaussian interface compilation - HOW-TO?
lindahl at cbr.su.se
Mon Aug 20 17:25:16 CEST 2007
Please post questions like this to the mailing list, so the answers
make it to the archive.
For QM/MM, have a look at
Unfortunately we are not even allowed to distribute a "diff" file
with modifications to Gaussian (they are _very_ strict on copyright
stuff...), but if you ask Gerrit nicely he might have a plain-
language description of the modifications necessary.
On Aug 20, 2007, at 5:14 PM, computer man wrote:
> Hi, i want to know the procedure to compile the gromacs-gaussian 03
> interface. Can u please give me a link to the installation
> instructions of gromacs-gaussian 03 interface. I sifted through the
> gromacs mailing list and google before sending you this question. I
> am trying to compile on linux i386 machine. I setup all environment
> variables and then compile gromacs and then gaussian but no
> interface is developed or no file is present in DEVEL_DIR. I will
> be thankful for your help.
> Best regards,
> Sohail. Pakistan.
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