[gmx-users] Re: gmx-users

[David]

On Thu, 2005-04-21 at 09:42 -0400, YOLANDA SMALL wrote:
> Hello David,
> You are correct.  It turns out that there were tabs in front of the coordinates
> for only the ILE residues.  Manually replacing the tabs with spaces fixed the
> problem.  Can you please explain why the program has to use spaces and not
> tabs?
because the pdb standard dictates that the coordinates are at position
XXX and so on. A tab looks like a lot of spaces on the screen but it is
only one character on the computer.
> 
> Thanks,
> Yolanda
> 
> On Thu, 21 Apr 2005 14:52:34 +0200, David van der Spoel wrote:
> 
> > On Thu, 2005-04-21 at 08:34 -0400, YOLANDA SMALL wrote:
> > > Hello David,
> > > 
> > > This is Gromacs 3.2.1 on a Linux platform.
> > And how was it compiled?
> > 
> > I can not reproduce the problem anyway. Maybe you should check whether
> > there are tabs in your pdb file rather than spaces...
> > -- 
> > David.
> > ________________________________________________________________________
> > David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> > Dept. of Cell and Molecular Biology, Uppsala University.
> > Husargatan 3, Box 596,          75124 Uppsala, Sweden
> > phone:  46 18 471 4205          fax: 46 18 511 755
> > spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
> > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> > 
> > 
> > _______________________________________________
> > gmx-users mailing list
> > gmx-users at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-users
> > Please don't post (un)subscribe requests to the list. Use the 
> > www interface or send it to gmx-users-request at gromacs.org.
> > 
> > 
> 
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++