mailr8700 - /branches/ave_noe/test_suite/system_tests/scripts/phthalic_acid_noes.py


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Posted by edward on January 29, 2009 - 09:42:
Author: bugman
Date: Thu Jan 29 09:42:21 2009
New Revision: 8700

URL: http://svn.gna.org/viewcvs/relax?rev=8700&view=rev
Log:
Added a call to calc() to test the quadratic potential calculation.


Modified:
    branches/ave_noe/test_suite/system_tests/scripts/phthalic_acid_noes.py

Modified: 
branches/ave_noe/test_suite/system_tests/scripts/phthalic_acid_noes.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/ave_noe/test_suite/system_tests/scripts/phthalic_acid_noes.py?rev=8700&r1=8699&r2=8700&view=diff
==============================================================================
--- branches/ave_noe/test_suite/system_tests/scripts/phthalic_acid_noes.py 
(original)
+++ branches/ave_noe/test_suite/system_tests/scripts/phthalic_acid_noes.py 
Thu Jan 29 09:42:21 2009
@@ -32,4 +32,7 @@
 # Read the NOE restraints.
 noe.read_restraints(file='phthalic_acid', dir=DATA_PATH+'noe_restraints')
 
+# Calculate the average NOE potential.
+calc()
 
+




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