[gmx-users] Re: gmx-users
yas102 at psu.edu
Thu Apr 21 15:42:53 CEST 2005
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
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 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
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