[gmx-developers] building gmx-mopac is quite tedious... why ?

Michael Banck mbanck at debian.org
Tue Jul 20 21:50:37 CEST 2010


On Tue, Jul 20, 2010 at 09:05:45PM +0200, ggroenh at gwdg.de wrote:
> I did not think we can distribute along with gromacs. But if you think we
> can, and you feel taking up this task, I and many other will be very
> grateful.
As Mopac is Public Domain, it should not be a problem.  However, why not
use the mopac7 library as provided by the SourceForge project
(http://sourceforge.net/projects/mopac7/)?  If the interface does not
suite you, maybe the maintainer (who is not the original author) might
consider changing it.

> There is the initiative of openmopac or mopac2007 (openmopac.net). I
> contacted the developers a long time ago, but they weren't interested
> unfortunately.

Yes, that one is sort-of proprietary.  At least not Public Domain.


More information about the gromacs.org_gmx-developers mailing list