mailr13089 - /branches/xyz/test_suite/shared_data/structures/Indol_test.xyz


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Posted by edward on June 17, 2011 - 11:17:
Author: bugman
Date: Fri Jun 17 11:17:27 2011
New Revision: 13089

URL: http://svn.gna.org/viewcvs/relax?rev=13089&view=rev
Log:
Modifying test_suite/shared_data/structures/Indol_test.xyz

This is Han's patch https://gna.org/task/download.php?file_id=13245 attached 
to the task
http://gna.org/task/?7404.

In the test_suite/shared_data/structures/Indol_test.xyz 0.00000 after the 
molecule name was removed.
The reason for that is because in a typical xyz file the second line is just 
the molecule name.


Modified:
    branches/xyz/test_suite/shared_data/structures/Indol_test.xyz

Modified: branches/xyz/test_suite/shared_data/structures/Indol_test.xyz
URL: 
http://svn.gna.org/viewcvs/relax/branches/xyz/test_suite/shared_data/structures/Indol_test.xyz?rev=13089&r1=13088&r2=13089&view=diff
==============================================================================
--- branches/xyz/test_suite/shared_data/structures/Indol_test.xyz (original)
+++ branches/xyz/test_suite/shared_data/structures/Indol_test.xyz Fri Jun 17 
11:17:27 2011
@@ -1,5 +1,5 @@
 16
-1-Indolizinyl  0.000000
+1-Indolizinyl 
 C  0.0784  1.9475 -0.3681
 H -0.3810  2.9138 -0.3681
 C  1.4607  1.6737 -0.3682




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