Hi Afonso --
It looks like the spaces in path to your PQR file (which then appear =20
in the APBS input file) are the source of the problem. I'm not sure =20
how to circumvent this in VMD other than to move the PQR file to a =20
directory with no spaces in the path. I'll Cc John Stone to make him =20=
aware of this issue (which is really a problem with APBS not VMD). =20
I'll also Cc the APBS-users mailing list in case others have =20
On Jan 22, 2007, at 2:46 PM, Afonso Duarte wrote:
> Thanks for the reply and the help!
> The files follow in attach.
> Could it be something related to the used OS? I can also use linux =20
> instead of windows...
> Nathan Baker <baker@...> escreveu: Hello --
> This sounds like a symptom of a failed run. Can you look in the c:/
> apbs.56130 directory (assuming it hasn't been deleted) for input/
> output files? Can you send these, along with your PQR/PDB file, to
> us for debugging purposes?
> On Jan 22, 2007, at 8:20 AM, Afonso Duarte wrote:
> > Dear All,
> > I am a Newbie using APBS, I have just installed the last version in
> > combination with the VMD 1.8.5. in a windows machine.
> > I have try the tutorial in the ABPS webpage for one molecule in
> > the PDB databank. However when I do run APBS via the VMD I get a
> > window with the error message: "APBSRun: output filesmissing or
> > unradeble" .... the terminal window from VMD also reports the same
> > error line: "cannot access output file c:/apbs.56130/pot.dx"
> > I have checked that directory and the .dx file is actually not
> > there, I assume it was not created...
> > Does anybody knows what I might be doing wrong? or has any ideas
> > of how to solve the problem?
> > Thanks
> > Afonso
> > __________________________________________________
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> Associate Professor, Dept. of Biochemistry and Molecular Biophysics
> Center for Computational Biology, Washington University in St. Louis
> Web: http://cholla.wustl.edu/
> Fale com seus amigos de gra=E7a com o novo Yahoo! Messenger
Associate Professor, Dept. of Biochemistry and Molecular Biophysics
Center for Computational Biology, Washington University in St. Louis