mailr21618 - /branches/relax_disp/specific_analyses/relax_disp/optimisation.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on November 24, 2013 - 13:42:
Author: bugman
Date: Sun Nov 24 13:42:49 2013
New Revision: 21618

URL: http://svn.gna.org/viewcvs/relax?rev=21618&view=rev
Log:
Increased the range of chemical shift differences in the grid search for the 
dispersion models.

The range was too narrow.


Modified:
    branches/relax_disp/specific_analyses/relax_disp/optimisation.py

Modified: branches/relax_disp/specific_analyses/relax_disp/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/optimisation.py?rev=21618&r1=21617&r2=21618&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/optimisation.py 
(original)
+++ branches/relax_disp/specific_analyses/relax_disp/optimisation.py Sun Nov 
24 13:42:49 2013
@@ -185,18 +185,18 @@
                 # Chemical shift difference between states A and B 
(heteronucleus).
                 elif param_name == 'dw':
                     if spins[spin_index].model in MODEL_LIST_MMQ:
-                        lower.append(-5.0)
+                        lower.append(-10.0)
                     else:
                         lower.append(0.0)
-                    upper.append(5.0)
+                    upper.append(10.0)
 
                 # Chemical shift difference between states A and B (proton).
                 elif param_name == 'dwH':
                     if spins[spin_index].model in MODEL_LIST_MMQ:
-                        lower.append(-1.0)
+                        lower.append(-3.0)
                     else:
                         lower.append(0.0)
-                    upper.append(1.0)
+                    upper.append(3.0)
 
                 # The population of state A.
                 elif param_name == 'pA':




Related Messages


Powered by MHonArc, Updated Sun Nov 24 14:20:02 2013