Re: [AMBER] antechamber

From: Dmitry Nilov <nilovdm.gmail.com>
Date: Thu, 1 Apr 2010 14:05:48 +0400

mopac.sh is just script and i'm not shure that precence of this file is
related with successful installation of mopac.
Try "which mopac". Mopac was shipped with AmberTools1.2 and required g77 or
gfortran on your computer.
In any case, it is hard to help until you give exact antechamber command
line and output.
On Thu, Apr 1, 2010 at 1:53 PM, <monica.imtech.res.in> wrote:

>
> yes i hv mopac.sh installed under exe directory...
>
>
>
> > Are you shure that mopac program is installed?
> >
> > On Thu, Apr 1, 2010 at 10:57 AM, <monica.imtech.res.in> wrote:
> >
> >> hi all
> >> can anyone plz help me out to extract parameters for pyridoxal phosphate
> >> using
> >> antechamber.
> >>
> >> i tried as given in the tutorial...but the reduce command is not
> >> working......such that it is only making the intermediate files only
> >> (ATOMTYPE...etc.) and not making the final output files.
> >>
> >> thanx
> >> monica
> >>
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> >>
> >
> >
> >
> > --
> > Dmitry Nilov,
> > Lomonosov Moscow State University
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> >
>
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Dmitry Nilov,
Lomonosov Moscow State University
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Received on Thu Apr 01 2010 - 03:30:02 PDT
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