URL:
<http://gna.org/bugs/?11823>
Summary: non-reproducible data with reduced spectral density
mapping
Project: relax
Submitted by: bdanchec
Submitted on: Friday 06/13/2008 at 15:32
Category: None
Severity: 4 - Important
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Discussion Lock: Any
Release: 1.2.13
Operating System: Microsoft Windows
_______________________________________________________
Details:
Hi-
I am having a rather odd problem with Relax. I used Relax last year to
calculate the spectral densities J(o), J(wN) and J(wH) for two proteins. This
year I wanted to use Relax to calculate the same dataset for a slightly
modified version of one of the proteins. I expected that the results would
be the same for all residues except for the three residues in which the data
changed (it's a 118 residue protein). Unfortunately I had to reinstall the
hard drive on my computer recently, and thus also Relax and all the other
programs. When I got everything up and running and calculated the spectral
densities, they were way off from what I expected for all residues. For
example, I originally got J(0) values between 0.01 - 0.07 ns/rad, but now I
am getting J(0) values between 0.28 - 1.2 ns/rad. To see if it was something
wrong in one of my input files, I recalculated the spectral densities I
calculated last year, using the same exact input files and everything as I
did last year, but those results now matched this new data (J(0) values
between 0.28 - 1.2ns/rad). The two datasets I ran today are the same except
for those three residues I changed, but the results are different from the
original results I obtained last year. Any thoughts on what is different
when I run these? I'm completely baffled.... any suggestions would be
great!
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?11823>
_______________________________________________
Message sent via/by Gna!
http://gna.org/
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-devel mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel
