[ghemical-devel] Mopac7.1

[Michael Banck]

On Wed, Oct 07, 2009 at 02:35:01PM +0200, Michael Banck wrote:
> Back then, RM1 (http://www.rm1.sparkle.pro.br/) got also discussed, but
> its implemtation was sort of discouraged by Rzepa Henry.  As RM1 is
> billed to be one of the main feature additions (besides PM6, which is
> probably the bigger thing) of Mopac200x on top of Mopac7.x, maybe it
> makes sense to revisit this?

It seems to be trivial to /use/ RM1 with Mopac7:

http://www.rm1.sparkle.pro.br/index.php?q=rm1-software/mopac-earlier-versions

However, integrating it more nicely so that you can directly specify a
RM1 keyword, and get a check that all parameters are fine (or at least a
big warning that mixed AM1/RM1 parameters are used) would be nice and
probably not so difficult.


Michael