r21005 - /branches/relax_disp/specific_analyses/relax_disp/catia.py -- September 13, 2013 - 19:39

Author: bugman
Date: Fri Sep 13 19:39:50 2013
New Revision: 21005

URL: http://svn.gna.org/viewcvs/relax?rev=21005&view=rev
Log:
The main CATIA input file requires the chemical shifts and R1 values to be 
fixed, even when missing.

This is for the relax_disp.catia_input user function.


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

Modified: branches/relax_disp/specific_analyses/relax_disp/catia.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/catia.py?rev=21005&r1=21004&r2=21005&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/catia.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/catia.py Fri Sep 13 
19:39:50 2013
@@ -186,13 +186,13 @@
             catia_in.write("ReadParam(%s;%s;0;1)\n" % (param, r1_file))
         catia_in.write("\n")
 
-        # Fix these parameters.
-        catia_in.write("FreeLocalParam(all;Omega;false)\n")
-        for frq in loop_frq():
-            frq_label = int(frq*1e-6)
-            param = "R1iph_%s" % frq_label
-            catia_in.write("FreeLocalParam(all;%s;false)\n" % param)
-        catia_in.write("\n")
+    # Fix these off-resonance parameters.
+    catia_in.write("FreeLocalParam(all;Omega;false)\n")
+    for frq in loop_frq():
+        frq_label = int(frq*1e-6)
+        param = "R1iph_%s" % frq_label
+        catia_in.write("FreeLocalParam(all;%s;false)\n" % param)
+    catia_in.write("\n")
 
     # Minimisation.
     catia_in.write("Minimize(print=y;tol=%s;maxiter=%i)\n" % (f_tol, 
max_iter))