mailRe: Model Free Analysis problem


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Posted by Edward d'Auvergne on March 13, 2013 - 18:41:
Hi Manish,

Welcome to the relax mailing lists!  I'm guessing from your email
address that you are from Murray Coles' group
(http://www.eb.tuebingen.mpg.de/research/departments/protein-evolution/murray-coles.html)
in Tuebingen ;)  I should be able to help with the problems you see.
From the messages, I can see that there are two distinct issues.  The
simplest is the error message you encountered.  This is a bug in relax
which I have just fixed, see:

http://thread.gmane.org/gmane.science.nmr.relax.scm/16578

At this point, relax was trying to tell you that something is wrong
with your input relaxation data.  The message should have told you
that a relaxation data error of zero has been encountered and that
this is fatal for a model-free analysis (or for that matter any type
of data analysis).  I was wondering how you calculated your R1, R2,
and NOE relaxation data?  Did you use relax to calculate these?  Did
you use the gold standard Monte Carlo simulations for propagating peak
height errors to relaxation data errors?  On another unrelated note,
it might be worth reading the message I just sent to Angelo Miguel
Figueiredo about relaxation data collection and testing on this
mailing list (see the archive at
http://thread.gmane.org/gmane.science.nmr.relax.user/1419/focus=1423).

The second problem is indicated by the messages about the absence of
relaxation mechanisms.  This says that either the magnetic
dipole-dipole interaction or the CSA interaction has not been set up.
Did you follow, step-by-step, the instructions in the highly detailed
tutorial in the relax manual?  For example in the web version of the
manual at http://www.nmr-relax.com/manual/new_protocol_in_GUI.html.
Specifically this section on setting up the relaxation mechanisms:

http://www.nmr-relax.com/manual/d_Auvergne_protocol_GUI_mode_relaxation_interactio.html

It could be that you missed one of the steps required to set up these
interactions.  If you have any other questions, please don't hesitate
to ask.  I hope this information helped.

Regards,

Edward



On 13 March 2013 18:12, Manish Chaubey <manish.chaubey@xxxxxxxxxxxxxxxx> 
wrote:
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---------- Forwarded message ----------
From: "Manish Chaubey" <manish.chaubey@xxxxxxxxxxxxxxxx>
To: relax-users@xxxxxxx
Cc:
Date: Wed, 13 Mar 2013 18:05:01 +0100
Subject: Model Free Analysis problem
Hello,

I have just spent some time trying to get relax2.2.3 working. I've a good 
set of data (R1,R2, NOE) at 600 and 800 MHz. Although it seems the data is 
imported OK, the model free runs do no work, in that there are no model 
assignments.

I'm not able to execute relax and am getting the following error:

Over-fit spin deselection:
RelaxWarning: The spin '#NTN:1@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:1@17' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:1@18' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:1@19' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:2@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:2@H' has been deselected because of an absence 
of relaxation mechanisms.
RelaxWarning: The spin '#NTN:3@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:3@H' has been deselected because of an absence 
of relaxation mechanisms.
RelaxWarning: The spin '#NTN:4@H' has been deselected because of an absence 
of relaxation mechanisms.
RelaxWarning: The spin '#NTN:5@H' has been deselected because of an absence 
of relaxation mechanisms.
RelaxWarning: The spin '#NTN:6@H' has been deselected because of an absence 
of relaxation mechanisms.
RelaxWarning: The spin '#NTN:7@H' has been deselected because of an absence 
of relaxation mechanisms.
RelaxWarning: The spin '#NTN:8@H' has been deselected because of an absence 
of relaxation mechanisms.
RelaxWarning: The spin '#NTN:9@H' has been deselected because of an absence 
of relaxation mechanisms.
RelaxWarning: The spin '#NTN:10@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:10@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:11@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:12@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:13@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:14@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:15@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:16@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:17@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:18@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:19@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:20@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:20@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:21@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:22@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:23@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:24@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:25@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:26@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:26@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:27@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:27@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:28@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:28@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:29@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:29@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:30@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:31@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:32@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:32@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:33@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:34@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:34@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:35@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:36@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:36@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:37@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:37@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:38@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:39@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:40@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:41@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:42@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:43@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:44@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:44@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:45@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:46@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:46@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:47@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:47@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:48@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:48@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:49@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:50@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:51@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:52@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:53@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:53@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:54@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:55@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:56@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:57@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:58@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:58@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:59@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:60@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:61@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:62@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:63@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:64@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:65@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:66@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:67@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:67@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:68@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:69@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:70@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:71@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:72@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:73@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:74@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:74@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:75@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:76@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:77@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:77@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:78@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:79@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:80@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:81@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:82@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:82@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:83@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:83@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:84@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:84@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:85@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:85@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:86@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:86@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:87@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:87@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:88@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:88@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:89@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:90@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:91@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:91@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:92@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:93@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:94@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:95@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:96@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:97@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:98@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:99@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:99@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:100@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:100@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:101@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:102@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:103@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:104@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:105@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:106@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:107@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:107@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:108@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:109@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:110@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:111@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:112@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:113@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:113@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:114@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:115@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:115@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:116@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:117@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:117@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:118@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:119@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:120@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:121@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:122@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:123@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:124@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:125@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:126@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:126@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:127@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:127@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:128@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:128@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:129@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:130@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:130@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:131@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:131@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:132@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:133@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:134@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:135@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:135@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:136@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:136@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:137@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:138@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:138@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:139@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:139@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:140@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:141@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:142@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:142@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:143@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:143@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:144@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:144@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:145@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:146@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:147@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:148@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:149@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:150@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:150@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:151@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:152@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:153@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:154@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:155@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:156@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:157@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:158@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:159@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:160@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:161@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:162@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:163@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:164@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:165@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:166@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:167@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:168@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:169@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:169@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:170@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:170@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:171@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:172@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:172@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:173@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:174@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:174@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:175@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:176@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:177@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:178@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:179@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:179@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:180@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:181@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:181@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:182@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:183@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:184@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:185@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:186@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:187@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:187@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:188@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:189@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:190@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:191@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:192@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:193@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:194@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:195@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:196@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:197@N' has been deselected because of 
insufficient relaxation data, 3 or more data points are required.
RelaxWarning: The spin '#NTN:197@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:198@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:198@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:199@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:199@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:200@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:200@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:201@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:201@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:202@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:202@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:203@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:203@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:204@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:204@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:205@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:205@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:206@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:206@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:207@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:207@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:208@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:208@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:209@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:209@H' has been deselected because of an 
absence of relaxation mechanisms.
RelaxWarning: The spin '#NTN:210@N' has been deselected because of missing 
relaxation data.
RelaxWarning: The spin '#NTN:210@H' has been deselected because of an 
absence of relaxation mechanisms.
Exception raised in thread.

Traceback (most recent call last):
  File "/ebio/abt1/mchaubey/Desktop/relax-2.2.3/gui/analyses/execute.py", 
line 87, in run
    self.run_analysis()
  File 
"/ebio/abt1/mchaubey/Desktop/relax-2.2.3/gui/analyses/auto_model_free.py", 
line 808, in run_analysis
    dauvergne_protocol.dAuvergne_protocol(pipe_name=self.data.pipe_name, 
pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir, 
diff_model=self.data.global_models, mf_models=self.data.mf_models, 
local_tm_models=self.data.local_tm_models, grid_inc=self.data.inc, 
diff_tensor_grid_inc=self.data.diff_tensor_grid_inc, 
mc_sim_num=self.data.mc_sim_num, max_iter=self.data.max_iter, 
conv_loop=self.data.conv_loop)
  File 
"/ebio/abt1/mchaubey/Desktop/relax-2.2.3/auto_analyses/dauvergne_protocol.py",
 line 240, in __init__
    self.execute()
  File 
"/ebio/abt1/mchaubey/Desktop/relax-2.2.3/auto_analyses/dauvergne_protocol.py",
 line 564, in execute
    self.multi_model(local_tm=True)
  File 
"/ebio/abt1/mchaubey/Desktop/relax-2.2.3/auto_analyses/dauvergne_protocol.py",
 line 824, in multi_model
    self.interpreter.grid_search(inc=self.grid_inc)
  File "/ebio/abt1/mchaubey/Desktop/relax-2.2.3/prompt/uf_objects.py", line 
221, in __call__
    self._backend(*new_args, **uf_kargs)
  File "/ebio/abt1/mchaubey/Desktop/relax-2.2.3/generic_fns/minimise.py", 
line 140, in grid_search
    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
verbosity=verbosity)
  File 
"/ebio/abt1/mchaubey/Desktop/relax-2.2.3/specific_fns/model_free/mf_minimise.py",
 line 1509, in grid_search
    self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc, 
constraints=constraints, verbosity=verbosity, sim_index=sim_index)
  File 
"/ebio/abt1/mchaubey/Desktop/relax-2.2.3/specific_fns/model_free/mf_minimise.py",
 line 1780, in minimise
    self._minimise_data_setup(data_store, min_algor, num_data_sets, 
opt_params.min_options, spin=spin, sim_index=sim_index)
  File 
"/ebio/abt1/mchaubey/Desktop/relax-2.2.3/specific_fns/model_free/mf_minimise.py",
 line 1098, in _minimise_data_setup
    raise RelaxError("Zero error for spin '%s' for the relaxation data ID 
'%s', minimisation not possible." % (errid))
NameError: global name 'errid' is not defined


Please help me out with the possible causes and solution for this problem.

Warm Regards,

Manish Chaubey
PhD. Student
Andrei Lupas Group
Department 1
Max Planck Institute for Developmental biology





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