Index: tests/regression/Analysis/DipoleAngularCorrelation/post/water_histogram_X.dat
===================================================================
--- tests/regression/Analysis/DipoleAngularCorrelation/post/water_histogram_X.dat	(revision 4fc828b58deb25fc433599e0a2567df1f7b71101)
+++ tests/regression/Analysis/DipoleAngularCorrelation/post/water_histogram_X.dat	(revision 4fc828b58deb25fc433599e0a2567df1f7b71101)
@@ -0,0 +1,21 @@
+BinStart	BinCenter	BinEnd	Count
+-5	0	5	35
+5	10	15	0
+15	20	25	0
+25	30	35	0
+35	40	45	0
+45	50	55	0
+55	60	65	0
+65	70	75	0
+75	80	85	0
+85	90	95	0
+95	100	105	0
+105	110	115	0
+115	120	125	0
+125	130	135	0
+135	140	145	0
+145	150	155	0
+155	160	165	0
+165	170	175	0
+175	180	185	0
+185	0	0	0
Index: tests/regression/Analysis/DipoleAngularCorrelation/post/water_histogram_Y.dat
===================================================================
--- tests/regression/Analysis/DipoleAngularCorrelation/post/water_histogram_Y.dat	(revision 4fc828b58deb25fc433599e0a2567df1f7b71101)
+++ tests/regression/Analysis/DipoleAngularCorrelation/post/water_histogram_Y.dat	(revision 4fc828b58deb25fc433599e0a2567df1f7b71101)
@@ -0,0 +1,21 @@
+BinStart	BinCenter	BinEnd	Count
+-5	0	5	1
+5	10	15	1
+15	20	25	2
+25	30	35	2
+35	40	45	2
+45	50	55	2
+55	60	65	2
+65	70	75	2
+75	80	85	2
+85	90	95	2
+95	100	105	2
+105	110	115	2
+115	120	125	2
+125	130	135	2
+135	140	145	2
+145	150	155	2
+155	160	165	2
+165	170	175	2
+175	180	185	1
+185	0	0	0
Index: tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_X.pdb
===================================================================
--- tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_X.pdb	(revision 4fc828b58deb25fc433599e0a2567df1f7b71101)
+++ tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_X.pdb	(revision 4fc828b58deb25fc433599e0a2567df1f7b71101)
@@ -0,0 +1,288 @@
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 0
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.000   0.504  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.000  -0.504  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 1
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.088   0.496  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.088  -0.496  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 2
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.173   0.473  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.173  -0.473  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 3
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.253   0.436  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.253  -0.436  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 4
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.325   0.385  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.325  -0.385  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 5
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.387   0.323  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.387  -0.323  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 6
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.437   0.251  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.437  -0.251  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 7
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.474   0.171  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.474  -0.171  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 8
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.496   0.086  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.496  -0.086  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 9
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.503  -0.001  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.503   0.001  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 10
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.495  -0.088  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.495   0.088  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 11
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.472  -0.173  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.472   0.173  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 12
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.435  -0.252  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.435   0.252  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 13
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.385  -0.324  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.385   0.324  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 14
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.323  -0.386  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.323   0.386  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 15
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.251  -0.436  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.251   0.436  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 16
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.171  -0.473  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.171   0.473  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 17
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.086  -0.496  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759  -0.086   0.496  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 18
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.001  -0.503  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.001   0.503  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 19
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.088  -0.495  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.088   0.495  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 20
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.173  -0.472  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.173   0.472  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 21
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.252  -0.435  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.252   0.435  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 22
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.324  -0.385  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.324   0.385  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 23
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.386  -0.323  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.386   0.323  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 24
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.436  -0.251  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.436   0.251  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 25
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.473  -0.171  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.473   0.171  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 26
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.496  -0.086  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.496   0.086  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 27
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.503   0.001  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.503  -0.001  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 28
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.495   0.088  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.495  -0.088  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 29
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.472   0.173  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.472  -0.173  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 30
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.435   0.252  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.435  -0.252  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 31
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.385   0.324  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.385  -0.324  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 32
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.323   0.386  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.323  -0.386  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 33
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.251   0.436  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.251  -0.436  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 34
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.171   0.473  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.171  -0.473  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011, time step 35
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759  -0.086   0.496  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.086  -0.496  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
Index: tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_Y.pdb
===================================================================
--- tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_Y.pdb	(revision 4fc828b58deb25fc433599e0a2567df1f7b71101)
+++ tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_Y.pdb	(revision 4fc828b58deb25fc433599e0a2567df1f7b71101)
@@ -0,0 +1,288 @@
+REMARK created by molecuilder on Sat Feb 12 16:48:42 2011
+ATOM      1 O01 0wat 01          0.000   0.000   0.000  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.759   0.000   0.504  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.759   0.000  -0.504  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:37 2011, time step 1
+ATOM      1 O01 0wat 01          0.005   0.000  -0.029  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.546   0.000   0.704  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.890   0.000  -0.243  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:38 2011, time step 2
+ATOM      1 O01 0wat 01          0.011   0.000  -0.042  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.417   0.000   0.773  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.920   0.000  -0.099  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:38 2011, time step 3
+ATOM      1 O01 0wat 01          0.019   0.000  -0.054  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.278   0.000   0.819  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.925   0.000   0.048  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:38 2011, time step 4
+ATOM      1 O01 0wat 01          0.029   0.000  -0.064  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.133   0.000   0.840  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.904   0.000   0.193  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:39 2011, time step 5
+ATOM      1 O01 0wat 01          0.041   0.000  -0.073  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.013   0.000   0.836  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.858   0.000   0.333  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:39 2011, time step 6
+ATOM      1 O01 0wat 01          0.054   0.000  -0.079  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.157   0.000   0.807  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.789   0.000   0.462  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:40 2011, time step 7
+ATOM      1 O01 0wat 01          0.068   0.000  -0.083  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.293   0.000   0.753  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.698   0.000   0.578  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:40 2011, time step 8
+ATOM      1 O01 0wat 01          0.083   0.000  -0.084  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.418   0.000   0.676  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.588   0.000   0.676  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:41 2011, time step 9
+ATOM      1 O01 0wat 01          0.098   0.000  -0.083  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.528   0.000   0.579  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.463   0.000   0.753  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:41 2011, time step 10
+ATOM      1 O01 0wat 01          0.112   0.000  -0.079  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.619   0.000   0.464  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.327   0.000   0.807  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:41 2011, time step 11
+ATOM      1 O01 0wat 01          0.125   0.000  -0.073  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.689   0.000   0.335  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.183   0.000   0.837  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:42 2011, time step 12
+ATOM      1 O01 0wat 01          0.137   0.000  -0.065  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.735   0.000   0.196  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.036   0.000   0.842  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:42 2011, time step 13
+ATOM      1 O01 0wat 01          0.148   0.000  -0.055  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.757   0.000   0.051  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.109   0.000   0.821  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:43 2011, time step 14
+ATOM      1 O01 0wat 01          0.157   0.000  -0.043  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.753   0.000  -0.096  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.249   0.000   0.775  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:43 2011, time step 15
+ATOM      1 O01 0wat 01          0.163   0.000  -0.030  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.724   0.000  -0.240  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.379   0.000   0.706  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:43 2011, time step 16
+ATOM      1 O01 0wat 01          0.167   0.000  -0.016  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.670   0.000  -0.377  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.495   0.000   0.615  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:44 2011, time step 17
+ATOM      1 O01 0wat 01          0.168   0.000  -0.001  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.593   0.000  -0.502  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.593   0.000   0.505  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:44 2011, time step 18
+ATOM      1 O01 0wat 01          0.167   0.000   0.014  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.496   0.000  -0.612  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.671   0.000   0.380  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:45 2011, time step 19
+ATOM      1 O01 0wat 01          0.163   0.000   0.028  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.381   0.000  -0.703  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.726   0.000   0.243  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:45 2011, time step 20
+ATOM      1 O01 0wat 01          0.157   0.000   0.041  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.252   0.000  -0.773  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.756   0.000   0.099  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:45 2011, time step 21
+ATOM      1 O01 0wat 01          0.149   0.000   0.053  0.00  0.00           O 0
+ATOM      2 H01 0wat 01         -0.113   0.000  -0.819  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.761   0.000  -0.048  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:46 2011, time step 22
+ATOM      1 O01 0wat 01          0.139   0.000   0.064  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.032   0.000  -0.841  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.740   0.000  -0.194  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:46 2011, time step 23
+ATOM      1 O01 0wat 01          0.127   0.000   0.073  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.179   0.000  -0.837  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.694   0.000  -0.334  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:47 2011, time step 24
+ATOM      1 O01 0wat 01          0.114   0.000   0.079  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.323   0.000  -0.808  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.624   0.000  -0.464  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:47 2011, time step 25
+ATOM      1 O01 0wat 01          0.100   0.000   0.083  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.460   0.000  -0.754  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.533   0.000  -0.580  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:47 2011, time step 26
+ATOM      1 O01 0wat 01          0.085   0.000   0.084  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.585   0.000  -0.677  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.423   0.000  -0.678  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:48 2011, time step 27
+ATOM      1 O01 0wat 01          0.070   0.000   0.083  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.695   0.000  -0.580  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.298   0.000  -0.756  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:48 2011, time step 28
+ATOM      1 O01 0wat 01          0.056   0.000   0.079  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.786   0.000  -0.465  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.161   0.000  -0.811  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:49 2011, time step 29
+ATOM      1 O01 0wat 01          0.043   0.000   0.073  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.856   0.000  -0.336  0.00  0.00           H 0
+ATOM      3 H02 0wat 01         -0.017   0.000  -0.841  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:49 2011, time step 30
+ATOM      1 O01 0wat 01          0.031   0.000   0.065  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.902   0.000  -0.197  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.130   0.000  -0.846  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:49 2011, time step 31
+ATOM      1 O01 0wat 01          0.020   0.000   0.055  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.924   0.000  -0.052  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.276   0.000  -0.825  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:50 2011, time step 32
+ATOM      1 O01 0wat 01          0.011   0.000   0.043  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.920   0.000   0.094  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.416   0.000  -0.779  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:50 2011, time step 33
+ATOM      1 O01 0wat 01          0.005   0.000   0.030  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.891   0.000   0.238  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.546   0.000  -0.710  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:51 2011, time step 34
+ATOM      1 O01 0wat 01          0.001   0.000   0.016  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.837   0.000   0.374  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.662   0.000  -0.619  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
+REMARK created by molecuilder on Wed Feb 16 09:12:51 2011, time step 35
+ATOM      1 O01 0wat 01         -0.000   0.000   0.001  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          0.761   0.000   0.499  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          0.761   0.000  -0.509  0.00  0.00           H 0
+CONECT    1    2    3
+CONECT    2    1
+CONECT    3    1
+END
Index: tests/regression/Analysis/DipoleAngularCorrelation/testsuite-analysis-dipole-angular-correlation.at
===================================================================
--- tests/regression/Analysis/DipoleAngularCorrelation/testsuite-analysis-dipole-angular-correlation.at	(revision 4fc828b58deb25fc433599e0a2567df1f7b71101)
+++ tests/regression/Analysis/DipoleAngularCorrelation/testsuite-analysis-dipole-angular-correlation.at	(revision 4fc828b58deb25fc433599e0a2567df1f7b71101)
@@ -0,0 +1,12 @@
+### dipole angular correlation analysis
+
+AT_SETUP([Analysis - dipole angular correlation on PDBs with CONECT])
+AT_KEYWORDS([analysis dipole correlation pdb dipole-angular-correlation])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_X.pdb .], 0)
+AT_CHECK([../../molecuilder -v 4 -i watermulti_X.pdb -o pdb --select-molecules-by-formula H2O --dipole-angular-correlation --bin-start -5 --bin-width 10. --bin-end 184.5 --output-file water_values_X.dat --bin-output-file water_histogram_X.dat], 0, [stdout], [stderr])
+AT_CHECK([file=water_histogram_X.dat; diff $file ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation/post/$file], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation/pre/watermulti_Y.pdb .], 0)
+AT_CHECK([../../molecuilder -v 4 -i watermulti_Y.pdb -o pdb --select-molecules-by-formula H2O --dipole-angular-correlation --bin-start -5 --bin-width 10. --bin-end 184.5 --output-file water_values_Y.dat --bin-output-file water_histogram_Y.dat], 0, [stdout], [stderr])
+AT_CHECK([file=water_histogram_Y.dat; diff $file ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation/post/$file], 0, [ignore], [ignore])
+AT_CLEANUP
+
Index: tests/regression/Analysis/testsuite-analysis.at
===================================================================
--- tests/regression/Analysis/testsuite-analysis.at	(revision df8759e00f2b2d82d6334340d4d0ecd763ec575b)
+++ tests/regression/Analysis/testsuite-analysis.at	(revision 4fc828b58deb25fc433599e0a2567df1f7b71101)
@@ -16,4 +16,7 @@
 m4_include(Analysis/PrincipalAxisSystem/testsuite-analysis-principal-axis-system.at)
 
+# dipole angular correlation
+m4_include(Analysis/DipoleAngularCorrelation/testsuite-analysis-dipole-angular-correlation.at)
+
 # dipole correlation - empty
 m4_include(Analysis/DipoleCorrelation-Empty/testsuite-analysis-dipole-correlation-empty.at)
