r8810 - /1.3/test_suite/system_tests/scripts/align_fit.py -- February 17, 2009 - 10:56

Author: bugman
Date: Tue Feb 17 10:56:07 2009
New Revision: 8810

URL: http://svn.gna.org/viewcvs/relax?rev=8810&view=rev
Log:
Modified the NH bond length to be 1.041 Angstrom in the system test script.

This is from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 
12334-12341.


Modified:
    1.3/test_suite/system_tests/scripts/align_fit.py

Modified: 1.3/test_suite/system_tests/scripts/align_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/align_fit.py?rev=8810&r1=8809&r2=8810&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/align_fit.py (original)
+++ 1.3/test_suite/system_tests/scripts/align_fit.py Tue Feb 17 10:56:07 2009
@@ -30,7 +30,7 @@
 structure.vectors(spin_id='@N', attached='H', ave=False)
 
 # Set the values needed to calculate the dipolar constant.
-value.set(1.02 * 1e-10, 'bond_length', spin_id="@N")
+value.set(1.041 * 1e-10, 'bond_length', spin_id="@N")
 value.set('15N', 'heteronucleus', spin_id="@N")
 value.set('1H', 'proton', spin_id="@N")