Compare the geometries of Step 4 and Step 5, old method

Compare "Step 5 - MTH1 Chain A plus 8OG Optimized with Bias=3, now optimize 5 Angstroms around 8OG without bias 1SCF.arc" and "Step 4 - Optimize MTH1 Chain A plus 8OG geometry using a bias of 3.arc"

Date:		Oct 02 2017 08:41
No. atoms:		2936
Formula:		C₈₁₇H₁₅₁₄N₂₁₄O₃₈₂S₈P
GEO_DAT:		-24446.180 kcal/mol
GEO_REF:		-24432.664 kcal/mol
RMSD: 0.060Å		Diff: 41.197Å

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Connected Neighbors

Common Script (Read file from:
"common.txt")

Specific Script (Read file from:
"Compare Old 4 and Old 5.txt")

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A 3	S 4	R 5	L 6	Y 7	T 8	L 9	V 10	L 11	V 12
L 13	Q 14	P 15	Q 16	R 17	V 18	L 19	L 20	G 21	M 22
K 23	K 24	R 25	G 26	F 27	G 28	A 29	G 30	R 31	W 32
N 33	G 34	F 35	G 36	G 37	K 38	V 39	Q 40	E 41	G 42
E 43	T 44	I 45	E 46	D 47	G 48	A 49	R 50	R 51	E 52
L 53	Q 54	E 55	E 56	S 57	G 58	L 59	T 60	V 61	D 62
A 63	L 64	H 65	K 66	V 67	G 68	Q 69	I 70	V 71	F 72
E 73	F 74	V 75	G 76	E 77	P 78	E 79	L 80	M 81	D 82
V 83	H 84	V 85	F 86	C 87	T 88	D 89	S 90	I 91	Q 92
G 93	T 94	P 95	V 96	E 97	S 98	D 99	E 100	M 101	R 102
P 103	C 104	W 105	F 106	Q 107	L 108	D 109	Q 110	I 111	P 112
F 113	K 114	D 115	M 116	W 117	P 118	D 119	D 120	S 121	Y 122
W 123	F 124	P 125	L 126	L 127	L 128	Q 129	K 130	K 131	K 132
F 133	H 134	G 135	Y 136	F 137	K 138	F 139	Q 140	G 141	Q 142
D 143	T 144	I 145	L 146	D 147	Y 148	T 149	L 150	R 151	E 152
V 153	D 154	T 155	V 156	X 1157