mailRe: spectral density mapping input files


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Posted by Edward d'Auvergne on July 17, 2009 - 15:47:
Dear Fatiha,

Welcome to the relax mailing lists!  This should be quite a simple
problem to solve, but a little more information is required to work
out what is happening.  Are you using the sample script that comes
with relax?  When you run the script, do you receive any errors or
warnings?  My guess is that the columns of your input data are not
correctly set in the script.  Did you use relax to calculate the R1,
R2, and NOE?  If this doens't help, could you possibly attach the
script, and cut and paste one line of data from your input files?
Maybe even cut and paste the output of relax.

Cheers,

Edward


On Thu, Jul 16, 2009 at 11:30 AM, Fatiha Kateb<fatiha.kateb@xxxxxxxxx> wrote:
Hi everybody,
I am trying to use relax for spectral density mapping purpose. I could
not find any information on the input format and when I try to use it,
although I do not get any error message, nothing has been fitted and my
results output file is only made of "none" and "[0,0,0]".
I guess my input files were not correct: I used 3 different files (one
for R1, one for R2 and one for Noe) with a 'res R err' format.
Could anyone help (like sending some input files examples)?

thanks and best regards,

Fatiha
--
Dr. Fatiha Kateb

Tel.: +49 89 289-13284
Fax:  +49 89 289-13869

Lehrstuhl für Biomolekulare NMR-Spektroskopie
Department Chemie, Technische Universität München
Lichtenbergstrasse 4
D-85747 Garching



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