r12841 - /1.3/sample_scripts/model_free/diff_min.py -- May 31, 2011 - 16:29

Author: semor
Date: Tue May 31 16:29:49 2011
New Revision: 12841

URL: http://svn.gna.org/viewcvs/relax?rev=12841&view=rev
Log:
Updates for the diffusion tensor optimization sample script.

The problem was identified (for sample script "dasha.py")
by Shantanu Bhattacharyya <shantanu01 att cmu dott edu> in the post at
https://mail.gna.org/public/relax-users/2011-05/msg00018.html (Message-id:
<7a068ac7a9e90b8e8d374b334a20d4be.squirrel@xxxxxxxxxxxxxxxxxxxxxx>).

Modified:
    1.3/sample_scripts/model_free/diff_min.py

Modified: 1.3/sample_scripts/model_free/diff_min.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/diff_min.py?rev=12841&r1=12840&r2=12841&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/diff_min.py (original)
+++ 1.3/sample_scripts/model_free/diff_min.py Tue May 31 16:29:49 2011
@@ -24,11 +24,7 @@
 
 
 # Set the data pipe names (also the names of preset model-free models).
-#pipes = ['m1']
 pipes = ['m1', 'm2', 'm3', 'm4', 'm5', 'm6', 'm7', 'm8', 'm9']
-
-# Nuclei type
-value.set('15N', 'heteronucleus')
 
 # Minimise the model-free parameters.
 print("\n\n\n\n\n")
@@ -40,6 +36,9 @@
 for name in pipes:
     # Create the data pipe.
     pipe.create(name, 'mf')
+
+    # Nuclei type
+    value.set('15N', 'heteronucleus')
 
     # Load the sequence.
     sequence.read('noe.500.out', res_num_col=1)