r21426 - /trunk/test_suite/shared_data/align_data/menthol/long_range_rdc -- November 13, 2013 - 16:52

Author: bugman
Date: Wed Nov 13 16:51:59 2013
New Revision: 21426

URL: http://svn.gna.org/viewcvs/relax?rev=21426&view=rev
Log:
Updated the menthol long range RDC data file to include pseudo-atom member 
distances.


Modified:
    trunk/test_suite/shared_data/align_data/menthol/long_range_rdc

Modified: trunk/test_suite/shared_data/align_data/menthol/long_range_rdc
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/align_data/menthol/long_range_rdc?rev=21426&r1=21425&r2=21426&view=diff
==============================================================================
--- trunk/test_suite/shared_data/align_data/menthol/long_range_rdc (original)
+++ trunk/test_suite/shared_data/align_data/menthol/long_range_rdc Wed Nov 13 
16:51:59 2013
@@ -16,10 +16,16 @@
   @C1        @Q7          3.85     0.14             3.487340
   @C2        @H8         -0.54     0.14             3.474681   
   @C8        @H8         -1.18     0.28             2.779381   
-  @C3        @H6         -0.39     0.28                    2.709551
-  @C1        @H6         -0.70     0.14                 2.730567
+  @C3        @H6         -0.39     0.28             2.709551
+  @C1        @H6         -0.70     0.14             2.730567
   @C8        @H6          0.31     0.14             2.139753 
-  @C7    @H4            -0.47     0.14             2.767868
+  @C7        @H4         -0.47     0.14             2.767868
  
-
- 
+# Interatomic distance data for the pseudo-atoms.
+ 
+  @C1        @H10         0.0      0.0              3.487340
+  @C1        @H11         0.0      0.0              2.780883
+  @C1        @H12         0.0      0.0              2.794749
+  @C3        @H10         0.0      0.0              2.772089
+  @C3        @H11         0.0      0.0              3.480012
+  @C3        @H12         0.0      0.0              2.783724