hello,

Ok it does work. Thanks a lot for your usefull application and for your help.
regards
Francois




> Message du 21/05/08 21:38
> De : "Nathan Baker"
> A : "François BAGAINI"
> Copie à : apbs-users@lists.sourceforge.net
> Objet : Re: [Apbs-users] Outputfile with APOLAR calculations
>
> Hello --
>
> The --output-file option is a bit misleading. It was designed for
> specific logging of information for use in web server/services
> applications. The best way to capture APBS output is by redirecting
> the stdout on the console. If you're using BASH, this would be
> something like
>
> $ apbs file.in > file.out
>
> or
>
> $ apbs file.in | tee file.out
>
> Sorry for the confusion.
>
> -- Nathan
>
> On May 21, 2008, at 2:28 PM, François BAGAINI wrote:
>
> > hello,
> > I use the version 1.0.0. I get the same results as yours, but
> > written on my console not in the file I have specified with the --
> > outputfile=1dlhAPO.out option.
> > Kind regards
> > Francois
> >
> >
> >
> >
> > > Message du 20/05/08 13:16
> > > De : "Nathan Baker"
> > > A : "François BAGAINI"
> > > Copie à : apbs-users@lists.sourceforge.net
> > > Objet : Re: [Apbs-users] Outputfile with APOLAR calculations
> > >
> > > Hello --
> > >
> > > This example ran on my computer with the attached output. What
> > > version of APBS are you using?
> > >
> > > Thanks,
> > >
> > > Nathan
> > >
> > >
> > >
> > > On May 20, 2008, at 5:23 AM, François BAGAINI wrote:
> > >
> > > > Hello Nathan,
> > > > Here are my files. I have used OPLS parameters because it was
> > easier
> > > > for me but I'm working on Amber parameters for further
> > calculations.
> > > > Thanks for your help.
> > > > Francois
> > > >
> > > >
> > > >
> > > >
> > > >
> > > > > Message du 20/05/08 03:13
> > > > > De : "Nathan Baker"
> > > > > A : "bagaini.fr"
> > > > > Copie à : apbs-users@lists.sourceforge.net
> > > > > Objet : Re: [Apbs-users] Outputfile with APOLAR calculations
> > > > >
> > > > > Hello --
> > > >
> > > > >
> > > > Can you please send the input file and PQR so we can know a bit
> > more
> > > > about the setup of your system?
> > > >
> > > > >
> > > > Thanks,
> > > >
> > > > >
> > > > Nathan
> > > >
> > > > >
> > > > On May 19, 2008, at 2:50 PM, bagaini.fr wrote:
> > > >
> > > > Hi,
> > > > I use APBS on a windows XP plateform. I have performed ELEC
> > > > calculations with an outputfile specification to write the results
> > > > in a file. But when I do the same with APOLAR settings the file is
> > > > created, the date and time are written in the file...and that all!
> > > > What should I have done?
> > > > Thanks a lot for your help.
> > > > Francois
> > > >
> > -------------------------------------------------------------------------
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> > > > > http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/_______________________________________________
> > > > > apbs-users mailing list
> > > > > apbs-users@lists.sourceforge.net
> > > > > https://lists.sourceforge.net/lists/listinfo/apbs-users
> > > > >
> > > >
> > > >
> > > >
> > > > >
> > > > --
> > > > Associate Professor, Dept. of Biochemistry and Molecular
> > Biophysics
> > > > Center for Computational Biology, Washington University in St.
> > Louis
> > > > Web: http://cholla.wustl.edu/
> > > >
> > > >
> > > >
> > > >
> > > >
> > > >
> > > >
> > > >
> > > >
> > > >
> > > > >
> > > >
> > > >
> > > > <1dlhAPO.in><1dlh_pep.pqr><1dlh.pqr>
> > >
> > > --
> > > Associate Professor, Dept. of Biochemistry and Molecular Biophysics
> > > Center for Computational Biology, Washington University in St. Louis
> > > Web: http://cholla.wustl.edu/
> > >
> > >
> > >
> > >
> > >
> > >
> > >
> > > [ (pas de nom de fichier) (0.0 Ko) ]
>
> --
> Associate Professor, Dept. of Biochemistry and Molecular Biophysics
> Center for Computational Biology, Washington University in St. Louis
> Web: http://cholla.wustl.edu/
>
>
>
>
>
>