Index: tests/regression/Molecules/Copy/post/tensid.data
===================================================================
--- tests/regression/Molecules/Copy/post/tensid.data	(revision fba720ce65b1d971d345b1d68eae95bb7a71ad42)
+++ tests/regression/Molecules/Copy/post/tensid.data	(revision 4fc0ea189daecd4174db3fa5881d3dab8e459fc0)
@@ -58,59 +58,59 @@
 56	H12	SLES	1	19.755	15.669	22.942	HAL3	54	0	0	0	0.09	
 57	H12	SLES	1	19.381	16.794	24.275	HAL3	54	0	0	0	0.09	
-58	NA	SLES	1	7.15637	10.1281	11.2412	NA	0	0	0	0	1	
-59	S	SLES	1	6.04137	8.77709	13.7122	SL	60	61	62	63	1.33	
-60	OS1	SLES	1	5.54737	7.96909	12.5842	OSL	59	64	0	0	-0.28	
-61	OS2	SLES	1	5.43337	9.96809	13.1622	O2L	59	0	0	0	-0.65	
-62	OS3	SLES	1	7.41137	8.54909	13.3142	O2L	59	0	0	0	-0.65	
-63	OS4	SLES	1	5.52037	8.18109	14.9102	O2L	59	0	0	0	-0.65	
-64	C2	SLES	1	4.77737	6.83509	12.6322	CC32A	60	65	66	67	-0.11	
-65	H2A	SLES	1	3.79237	7.04409	13.1272	HCA2	64	0	0	0	0.09	
-66	H2B	SLES	1	5.30937	6.01209	13.1792	HCA2	64	0	0	0	0.09	
-67	C1	SLES	1	4.59937	6.50209	11.1352	CC32A	64	68	69	70	-0.01	
-68	H1B	SLES	1	4.09637	7.34509	10.5942	HCA2	67	0	0	0	0.09	
-69	H1A	SLES	1	5.58737	6.30509	10.6512	HCA2	67	0	0	0	0.09	
-70	O1	SLES	1	3.84637	5.38709	10.7832	OC30A	67	71	0	0	-0.34	
-71	C2	SLES	1	3.26237	4.62409	11.8232	CC32A	70	72	73	74	-0.01	
-72	H2A	SLES	1	2.56337	5.26309	12.4352	HCA2	71	0	0	0	0.09	
-73	H2B	SLES	1	4.04037	4.20309	12.5022	HCA2	71	0	0	0	0.09	
-74	C1	SLES	1	2.54537	3.79409	10.6972	CC32A	71	75	76	77	-0.01	
-75	H1B	SLES	1	1.56537	4.09409	11.0912	HCA2	74	0	0	0	0.09	
-76	H1A	SLES	1	3.22037	2.97309	11.1362	HCA2	74	0	0	0	0.09	
-77	O1	SLES	1	2.06837	2.69009	9.97225	OC30A	74	78	0	0	-0.34	
-78	C1	SLES	1	1.23837	1.75409	10.6452	CTL2	77	79	80	81	-0.18	
-79	H11	SLES	1	0.398368	2.18809	11.2562	HAL2	78	0	0	0	0.09	
-80	H12	SLES	1	1.84837	1.11609	11.3332	HAL2	78	0	0	0	0.09	
-81	C2	SLES	1	0.718368	0.976088	9.43725	CTL2	78	82	83	84	-0.18	
-82	H21	SLES	1	0.0583684	1.58009	8.76925	HAL2	81	0	0	0	0.09	
-83	H22	SLES	1	1.53437	0.520088	8.82525	HAL2	81	0	0	0	0.09	
-84	C3	SLES	1	-0.0746316	-0.102912	10.0562	CTL2	81	85	86	87	-0.18	
-85	H31	SLES	1	-0.866632	0.427088	10.6522	HAL2	84	0	0	0	0.09	
-86	H32	SLES	1	0.652368	-0.656912	10.7122	HAL2	84	0	0	0	0.09	
-87	C4	SLES	1	-0.770632	-1.12991	9.22325	CTL2	84	88	89	90	-0.18	
-88	H41	SLES	1	-1.51963	-0.659912	8.53925	HAL2	87	0	0	0	0.09	
-89	H42	SLES	1	-0.0476316	-1.70591	8.59925	HAL2	87	0	0	0	0.09	
-90	C5	SLES	1	-1.39563	-1.94391	10.3642	CTL2	87	91	92	93	-0.18	
-91	H51	SLES	1	-2.05363	-1.29191	10.9982	HAL2	90	0	0	0	0.09	
-92	H52	SLES	1	-0.599632	-2.32591	11.0562	HAL2	90	0	0	0	0.09	
-93	C6	SLES	1	-2.20763	-3.10691	9.98825	CTL2	90	94	95	96	-0.18	
-94	H61	SLES	1	-3.21563	-2.95191	10.4602	HAL2	93	0	0	0	0.09	
-95	H62	SLES	1	-1.75763	-3.98891	10.5182	HAL2	93	0	0	0	0.09	
-96	C7	SLES	1	-2.35263	-3.39591	8.48925	CTL2	93	97	98	99	-0.18	
-97	H71	SLES	1	-2.86763	-2.58691	7.91925	HAL2	96	0	0	0	0.09	
-98	H72	SLES	1	-1.39163	-3.63691	7.97825	HAL2	96	0	0	0	0.09	
-99	C8	SLES	1	-3.21563	-4.60291	8.56625	CTL2	96	100	101	102	-0.18	
-100	H81	SLES	1	-4.15063	-4.28991	9.11025	HAL2	99	0	0	0	0.09	
-101	H82	SLES	1	-2.64263	-5.36191	9.17125	HAL2	99	0	0	0	0.09	
-102	C9	SLES	1	-3.65763	-5.29491	7.32425	CTL2	99	103	104	105	-0.18	
-103	H91	SLES	1	-4.25363	-4.60191	6.68925	HAL2	102	0	0	0	0.09	
-104	H92	SLES	1	-2.77463	-5.65391	6.74925	HAL2	102	0	0	0	0.09	
-105	C10	SLES	1	-4.48763	-6.42791	7.92425	CTL2	102	106	107	108	-0.18	
-106	H10	SLES	1	-5.31663	-6.00291	8.55225	HAL2	105	0	0	0	0.09	
-107	H10	SLES	1	-3.84863	-7.04691	8.61125	HAL2	105	0	0	0	0.09	
-108	C11	SLES	1	-5.10663	-7.35491	6.92925	CTL2	105	109	110	111	-0.18	
-109	H11	SLES	1	-5.75663	-6.74091	6.26325	HAL2	108	0	0	0	0.09	
-110	H11	SLES	1	-4.27963	-7.79091	6.32225	HAL2	108	0	0	0	0.09	
-111	C12	SLES	1	-5.90363	-8.43291	7.66925	CTL3	108	112	113	114	-0.27	
-112	H12	SLES	1	-6.97263	-8.37591	7.38625	HAL3	111	0	0	0	0.09	
-113	H12	SLES	1	-5.48563	-9.43391	7.44625	HAL3	111	0	0	0	0.09	
-114	H12	SLES	1	-5.85963	-8.30891	8.77925	HAL3	111	0	0	0	0.09	
+58	NA	SLES	1	7.156368421	10.12808772	11.24124561	NA	0	0	0	0	1	
+59	S	SLES	1	6.041368421	8.777087719	13.71224561	SL	60	61	62	63	1.33	
+60	OS1	SLES	1	5.547368421	7.969087719	12.58424561	OSL	59	64	0	0	-0.28	
+61	OS2	SLES	1	5.433368421	9.968087719	13.16224561	O2L	59	0	0	0	-0.65	
+62	OS3	SLES	1	7.411368421	8.549087719	13.31424561	O2L	59	0	0	0	-0.65	
+63	OS4	SLES	1	5.520368421	8.181087719	14.91024561	O2L	59	0	0	0	-0.65	
+64	C2	SLES	1	4.777368421	6.835087719	12.63224561	CC32A	60	65	66	67	-0.11	
+65	H2A	SLES	1	3.792368421	7.044087719	13.12724561	HCA2	64	0	0	0	0.09	
+66	H2B	SLES	1	5.309368421	6.012087719	13.17924561	HCA2	64	0	0	0	0.09	
+67	C1	SLES	1	4.599368421	6.502087719	11.13524561	CC32A	64	68	69	70	-0.01	
+68	H1B	SLES	1	4.096368421	7.345087719	10.59424561	HCA2	67	0	0	0	0.09	
+69	H1A	SLES	1	5.587368421	6.305087719	10.65124561	HCA2	67	0	0	0	0.09	
+70	O1	SLES	1	3.846368421	5.387087719	10.78324561	OC30A	67	71	0	0	-0.34	
+71	C2	SLES	1	3.262368421	4.624087719	11.82324561	CC32A	70	72	73	74	-0.01	
+72	H2A	SLES	1	2.563368421	5.263087719	12.43524561	HCA2	71	0	0	0	0.09	
+73	H2B	SLES	1	4.040368421	4.203087719	12.50224561	HCA2	71	0	0	0	0.09	
+74	C1	SLES	1	2.545368421	3.794087719	10.69724561	CC32A	71	75	76	77	-0.01	
+75	H1B	SLES	1	1.565368421	4.094087719	11.09124561	HCA2	74	0	0	0	0.09	
+76	H1A	SLES	1	3.220368421	2.973087719	11.13624561	HCA2	74	0	0	0	0.09	
+77	O1	SLES	1	2.068368421	2.690087719	9.972245614	OC30A	74	78	0	0	-0.34	
+78	C1	SLES	1	1.238368421	1.754087719	10.64524561	CTL2	77	79	80	81	-0.18	
+79	H11	SLES	1	0.3983684211	2.188087719	11.25624561	HAL2	78	0	0	0	0.09	
+80	H12	SLES	1	1.848368421	1.116087719	11.33324561	HAL2	78	0	0	0	0.09	
+81	C2	SLES	1	0.7183684211	0.9760877193	9.437245614	CTL2	78	82	83	84	-0.18	
+82	H21	SLES	1	0.05836842105	1.580087719	8.769245614	HAL2	81	0	0	0	0.09	
+83	H22	SLES	1	1.534368421	0.5200877193	8.825245614	HAL2	81	0	0	0	0.09	
+84	C3	SLES	1	-0.07463157895	-0.1029122807	10.05624561	CTL2	81	85	86	87	-0.18	
+85	H31	SLES	1	-0.8666315789	0.4270877193	10.65224561	HAL2	84	0	0	0	0.09	
+86	H32	SLES	1	0.6523684211	-0.6569122807	10.71224561	HAL2	84	0	0	0	0.09	
+87	C4	SLES	1	-0.7706315789	-1.129912281	9.223245614	CTL2	84	88	89	90	-0.18	
+88	H41	SLES	1	-1.519631579	-0.6599122807	8.539245614	HAL2	87	0	0	0	0.09	
+89	H42	SLES	1	-0.04763157895	-1.705912281	8.599245614	HAL2	87	0	0	0	0.09	
+90	C5	SLES	1	-1.395631579	-1.943912281	10.36424561	CTL2	87	91	92	93	-0.18	
+91	H51	SLES	1	-2.053631579	-1.291912281	10.99824561	HAL2	90	0	0	0	0.09	
+92	H52	SLES	1	-0.5996315789	-2.325912281	11.05624561	HAL2	90	0	0	0	0.09	
+93	C6	SLES	1	-2.207631579	-3.106912281	9.988245614	CTL2	90	94	95	96	-0.18	
+94	H61	SLES	1	-3.215631579	-2.951912281	10.46024561	HAL2	93	0	0	0	0.09	
+95	H62	SLES	1	-1.757631579	-3.988912281	10.51824561	HAL2	93	0	0	0	0.09	
+96	C7	SLES	1	-2.352631579	-3.395912281	8.489245614	CTL2	93	97	98	99	-0.18	
+97	H71	SLES	1	-2.867631579	-2.586912281	7.919245614	HAL2	96	0	0	0	0.09	
+98	H72	SLES	1	-1.391631579	-3.636912281	7.978245614	HAL2	96	0	0	0	0.09	
+99	C8	SLES	1	-3.215631579	-4.602912281	8.566245614	CTL2	96	100	101	102	-0.18	
+100	H81	SLES	1	-4.150631579	-4.289912281	9.110245614	HAL2	99	0	0	0	0.09	
+101	H82	SLES	1	-2.642631579	-5.361912281	9.171245614	HAL2	99	0	0	0	0.09	
+102	C9	SLES	1	-3.657631579	-5.294912281	7.324245614	CTL2	99	103	104	105	-0.18	
+103	H91	SLES	1	-4.253631579	-4.601912281	6.689245614	HAL2	102	0	0	0	0.09	
+104	H92	SLES	1	-2.774631579	-5.653912281	6.749245614	HAL2	102	0	0	0	0.09	
+105	C10	SLES	1	-4.487631579	-6.427912281	7.924245614	CTL2	102	106	107	108	-0.18	
+106	H10	SLES	1	-5.316631579	-6.002912281	8.552245614	HAL2	105	0	0	0	0.09	
+107	H10	SLES	1	-3.848631579	-7.046912281	8.611245614	HAL2	105	0	0	0	0.09	
+108	C11	SLES	1	-5.106631579	-7.354912281	6.929245614	CTL2	105	109	110	111	-0.18	
+109	H11	SLES	1	-5.756631579	-6.740912281	6.263245614	HAL2	108	0	0	0	0.09	
+110	H11	SLES	1	-4.279631579	-7.790912281	6.322245614	HAL2	108	0	0	0	0.09	
+111	C12	SLES	1	-5.903631579	-8.432912281	7.669245614	CTL3	108	112	113	114	-0.27	
+112	H12	SLES	1	-6.972631579	-8.375912281	7.386245614	HAL3	111	0	0	0	0.09	
+113	H12	SLES	1	-5.485631579	-9.433912281	7.446245614	HAL3	111	0	0	0	0.09	
+114	H12	SLES	1	-5.859631579	-8.308912281	8.779245614	HAL3	111	0	0	0	0.09	
Index: tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at
===================================================================
--- tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at	(revision fba720ce65b1d971d345b1d68eae95bb7a71ad42)
+++ tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at	(revision 4fc0ea189daecd4174db3fa5881d3dab8e459fc0)
@@ -20,5 +20,4 @@
 AT_SETUP([Molecules - Copy molecule])
 AT_KEYWORDS([molecules copy-molecule])
-AT_XFAIL_IF([/bin/true])
 
 file=test-copy.xyz
@@ -59,5 +58,4 @@
 AT_SETUP([Molecules - Copy molecule with Redo])
 AT_KEYWORDS([molecules copy-molecule redo])
-AT_XFAIL_IF([/bin/true])
 
 file=test-copy.xyz
