Oups indeed, sorry I mixed my files and don't give the good path. It works
now. thanks David (I will make tries with sqm changing the relaxing
criteria before considering mopac as you suggest).
Best wishes,
Baptiste
2012/9/7 David Case <dacase.rci.rutgers.edu>
>
>
> On Sep 7, 2012, at 9:30 AM, Baptiste Legrand <bap.legrand.gmail.com>
> wrote:
>
> > When I used mopac modifying the mopac.sh with the entire patch
> > (/home/Baptiste/amber11/bin/mopac). I don't understand why but I had the
> > same error on line 12 in mopac.sh.
>
> Presumably thenmopac.sh script you changed is not thenone that is actually
> being run.
>
> Is that possible?.....dac
>
>
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Received on Fri Sep 07 2012 - 09:30:03 PDT
