 Input Sobol seed (if blank, taken from assemble.in):
 init_level =           0
         ======================================
         SPLAT version 6.3   July      17, 2012
         ======================================

 ------ random number seed ----
          -1
Existing cyclic twisted double disulfide bridge                                 

 lib: /users/vageli/splat/lib                                                                             

7ALA.mol2 (NOT cyclic):

   1 GLY am
   2 CYS am
   3 ALA am
   4 ALA am
   5 ALA am
   6 ALA am
   7 ALA am
   8 ALA am
   9 ALA am
  10 CYS am
  11 GLY   


7ALA.mol2:  107 atoms in  11 residues and 1 molecule chains

 Initializing Rotamer library.
Residues subject to rotamer replacement (0):

 P2: n_ATOMs, n_bb_atoms, nRESIDUEs =          107          33          11

 Ramachandran check of initial molecule:

Print_Test_Molecule (test0, k = 1)
=== BEGIN sampling ===
Print_Test_Molecule (test, k = 1)
Verify_Chain_Internal_Coords: 1
*** Test molecule ENERGY (P) =  2.676E+04 ***
 First lead found!
### Total ENERGY = -4.329E+02 ### (accepted)
4 --- solutions: loops = 8, leads = 5, trials = 1, accepted = 1
   clash = 4
### Total ENERGY = -4.385E+02 ### (accepted)
24 --- solutions: loops = 44, leads = 15, trials = 4, accepted = 2
   clash = 11
### Total ENERGY = -4.421E+02 ### (accepted)
702 --- solutions: loops = 1356, leads = 1214, trials = 46, accepted = 3
   clash = 1168
1000 --- solutions: loops = 1498, leads = 1337, trials = 64, accepted = 3
   clash = 1273
2000 --- solutions: loops = 2086, leads = 1925, trials = 119, accepted = 3
   clash = 1806
3000 --- solutions: loops = 2666, leads = 2505, trials = 144, accepted = 3
   clash = 2361
4000 --- solutions: loops = 3184, leads = 3023, trials = 185, accepted = 3
   clash = 2838
5000 --- solutions: loops = 3730, leads = 3569, trials = 230, accepted = 3
   clash = 3339
6000 --- solutions: loops = 4198, leads = 4037, trials = 266, accepted = 3
   clash = 3771
7000 --- solutions: loops = 4862, leads = 4701, trials = 303, accepted = 3
   clash = 4398
8000 --- solutions: loops = 5384, leads = 5223, trials = 333, accepted = 3
   clash = 4890
9000 --- solutions: loops = 6042, leads = 5881, trials = 365, accepted = 3
   clash = 5516
10000 --- solutions: loops = 6642, leads = 6481, trials = 412, accepted = 3
   clash = 6069
11000 --- solutions: loops = 7192, leads = 7031, trials = 460, accepted = 3
   clash = 6571
12000 --- solutions: loops = 7756, leads = 7595, trials = 511, accepted = 3
   clash = 7084
13000 --- solutions: loops = 8320, leads = 8159, trials = 549, accepted = 3
   clash = 7610
### Total ENERGY = -4.430E+02 ### (accepted)
13307 --- solutions: loops = 8498, leads = 8336, trials = 566, accepted = 4
   clash = 7770
14000 --- solutions: loops = 9224, leads = 8844, trials = 575, accepted = 4
   clash = 8269
### Total ENERGY = -4.452E+02 ### (accepted)
14529 --- solutions: loops = 9768, leads = 9385, trials = 584, accepted = 5
   clash = 8801
15000 --- solutions: loops = 10456, leads = 9998, trials = 599, accepted = 5
   clash = 9399
16000 --- solutions: loops = 11890, leads = 11432, trials = 613, accepted = 5
   clash = 10819
17000 --- solutions: loops = 13336, leads = 12878, trials = 636, accepted = 5
   clash = 12242
18000 --- solutions: loops = 14808, leads = 14350, trials = 652, accepted = 5
   clash = 13698
19000 --- solutions: loops = 16212, leads = 15754, trials = 673, accepted = 5
   clash = 15081
20000 --- solutions: loops = 17736, leads = 17278, trials = 707, accepted = 5
   clash = 16571
21000 --- solutions: loops = 19118, leads = 18660, trials = 727, accepted = 5
   clash = 17933
22000 --- solutions: loops = 20646, leads = 20188, trials = 748, accepted = 5
   clash = 19440
23000 --- solutions: loops = 22104, leads = 21646, trials = 775, accepted = 5
   clash = 20871
24000 --- solutions: loops = 23514, leads = 23056, trials = 786, accepted = 5
   clash = 22270
25000 --- solutions: loops = 24960, leads = 24502, trials = 798, accepted = 5
   clash = 23704
### Total ENERGY = -4.470E+02 ### (accepted)
25978 --- solutions: loops = 26414, leads = 25955, trials = 826, accepted = 6
   clash = 25129
26000 --- solutions: loops = 26448, leads = 25964, trials = 826, accepted = 6
   clash = 25138
27000 --- solutions: loops = 27946, leads = 27334, trials = 878, accepted = 6
   clash = 26456
28000 --- solutions: loops = 29546, leads = 28934, trials = 943, accepted = 6
   clash = 27991
### Total ENERGY = -4.481E+02 ### (accepted)
28476 --- solutions: loops = 30250, leads = 29635, trials = 962, accepted = 7
   clash = 28673
29000 --- solutions: loops = 31418, leads = 30642, trials = 1036, accepted = 7
   clash = 29606
30000 --- solutions: loops = 33682, leads = 32906, trials = 1202, accepted = 7
   clash = 31704
31000 --- solutions: loops = 36096, leads = 35320, trials = 1371, accepted = 7
   clash = 33949
32000 --- solutions: loops = 38472, leads = 37696, trials = 1515, accepted = 7
   clash = 36181
### Total ENERGY = -4.483E+02 ### (accepted)
32955 --- solutions: loops = 40734, leads = 39956, trials = 1657, accepted = 8
   clash = 38299
33000 --- solutions: loops = 40812, leads = 39988, trials = 1660, accepted = 8
   clash = 38328
34000 --- solutions: loops = 42420, leads = 41596, trials = 1742, accepted = 8
   clash = 39854
35000 --- solutions: loops = 43956, leads = 43132, trials = 1820, accepted = 8
   clash = 41312
36000 --- solutions: loops = 45660, leads = 44836, trials = 1887, accepted = 8
   clash = 42949
37000 --- solutions: loops = 47128, leads = 46304, trials = 1952, accepted = 8
   clash = 44352
38000 --- solutions: loops = 48766, leads = 47942, trials = 2034, accepted = 8
   clash = 45908
39000 --- solutions: loops = 50466, leads = 49642, trials = 2146, accepted = 8
   clash = 47496
40000 --- solutions: loops = 52034, leads = 51210, trials = 2224, accepted = 8
   clash = 48986
41000 --- solutions: loops = 53678, leads = 52854, trials = 2309, accepted = 8
   clash = 50545
42000 --- solutions: loops = 55272, leads = 54448, trials = 2418, accepted = 8
   clash = 52030
43000 --- solutions: loops = 56810, leads = 55986, trials = 2495, accepted = 8
   clash = 53491
44000 --- solutions: loops = 58448, leads = 57624, trials = 2569, accepted = 8
   clash = 55055
45000 --- solutions: loops = 60104, leads = 59280, trials = 2648, accepted = 8
   clash = 56632
46000 --- solutions: loops = 61682, leads = 60858, trials = 2718, accepted = 8
   clash = 58140
47000 --- solutions: loops = 63282, leads = 62458, trials = 2790, accepted = 8
   clash = 59668
### Total ENERGY = -4.484E+02 ### (accepted)
47521 --- solutions: loops = 64158, leads = 63331, trials = 2839, accepted = 9
   clash = 60492
48000 --- solutions: loops = 65018, leads = 64185, trials = 2886, accepted = 9
   clash = 61299
49000 --- solutions: loops = 66918, leads = 66085, trials = 2992, accepted = 9
   clash = 63093
50000 --- solutions: loops = 68806, leads = 67973, trials = 3127, accepted = 9
   clash = 64846
51000 --- solutions: loops = 70586, leads = 69753, trials = 3241, accepted = 9
   clash = 66512
52000 --- solutions: loops = 72534, leads = 71701, trials = 3363, accepted = 9
   clash = 68338
53000 --- solutions: loops = 74512, leads = 73679, trials = 3497, accepted = 9
   clash = 70182
54000 --- solutions: loops = 76296, leads = 75463, trials = 3644, accepted = 9
   clash = 71819
55000 --- solutions: loops = 78178, leads = 77345, trials = 3771, accepted = 9
   clash = 73574
56000 --- solutions: loops = 80086, leads = 79253, trials = 3903, accepted = 9
   clash = 75350
57000 --- solutions: loops = 82148, leads = 81315, trials = 4052, accepted = 9
   clash = 77263
58000 --- solutions: loops = 84074, leads = 83241, trials = 4173, accepted = 9
   clash = 79068
59000 --- solutions: loops = 85992, leads = 85159, trials = 4262, accepted = 9
   clash = 80897
60000 --- solutions: loops = 87736, leads = 86903, trials = 4342, accepted = 9
   clash = 82561
61000 --- solutions: loops = 89556, leads = 88723, trials = 4456, accepted = 9
   clash = 84267
62000 --- solutions: loops = 91332, leads = 90499, trials = 4560, accepted = 9
   clash = 85939
63000 --- solutions: loops = 93240, leads = 92407, trials = 4668, accepted = 9
   clash = 87739
64000 --- solutions: loops = 95062, leads = 94229, trials = 4782, accepted = 9
   clash = 89447
65000 --- solutions: loops = 96868, leads = 96035, trials = 4899, accepted = 9
   clash = 91136
66000 --- solutions: loops = 98798, leads = 97965, trials = 4987, accepted = 9
   clash = 92978
67000 --- solutions: loops = 100692, leads = 99859, trials = 5079, accepted = 9
   clash = 94780
68000 --- solutions: loops = 102556, leads = 101723, trials = 5189, accepted = 9
   clash = 96534
69000 --- solutions: loops = 104360, leads = 103527, trials = 5296, accepted = 9
   clash = 98231
70000 --- solutions: loops = 106178, leads = 105345, trials = 5412, accepted = 9
   clash = 99933
71000 --- solutions: loops = 108036, leads = 107203, trials = 5534, accepted = 9
   clash = 101669
72000 --- solutions: loops = 109866, leads = 109033, trials = 5640, accepted = 9
   clash = 103393
73000 --- solutions: loops = 111890, leads = 111057, trials = 5736, accepted = 9
   clash = 105321
74000 --- solutions: loops = 113634, leads = 112801, trials = 5855, accepted = 9
   clash = 106946
75000 --- solutions: loops = 115624, leads = 114791, trials = 5981, accepted = 9
   clash = 108810
76000 --- solutions: loops = 117424, leads = 116591, trials = 6098, accepted = 9
   clash = 110493
77000 --- solutions: loops = 119250, leads = 118417, trials = 6229, accepted = 9
   clash = 112188
78000 --- solutions: loops = 121074, leads = 120241, trials = 6335, accepted = 9
   clash = 113906
79000 --- solutions: loops = 122906, leads = 122073, trials = 6462, accepted = 9
   clash = 115611
80000 --- solutions: loops = 124674, leads = 123841, trials = 6571, accepted = 9
   clash = 117270
81000 --- solutions: loops = 126596, leads = 125763, trials = 6692, accepted = 9
   clash = 119071
82000 --- solutions: loops = 128492, leads = 127659, trials = 6813, accepted = 9
   clash = 120846
83000 --- solutions: loops = 130362, leads = 129529, trials = 6955, accepted = 9
   clash = 122574
84000 --- solutions: loops = 132298, leads = 131465, trials = 7050, accepted = 9
   clash = 124415
85000 --- solutions: loops = 134114, leads = 133281, trials = 7150, accepted = 9
   clash = 126131
86000 --- solutions: loops = 135984, leads = 135151, trials = 7267, accepted = 9
   clash = 127884
87000 --- solutions: loops = 137796, leads = 136963, trials = 7347, accepted = 9
   clash = 129616
88000 --- solutions: loops = 139690, leads = 138857, trials = 7471, accepted = 9
   clash = 131386
89000 --- solutions: loops = 141414, leads = 140581, trials = 7561, accepted = 9
   clash = 133020
90000 --- solutions: loops = 143112, leads = 142279, trials = 7659, accepted = 9
   clash = 134620
91000 --- solutions: loops = 144890, leads = 144057, trials = 7741, accepted = 9
   clash = 136316
92000 --- solutions: loops = 146638, leads = 145805, trials = 7847, accepted = 9
   clash = 137958
93000 --- solutions: loops = 148364, leads = 147531, trials = 7935, accepted = 9
   clash = 139596
94000 --- solutions: loops = 150172, leads = 149339, trials = 8053, accepted = 9
   clash = 141286
95000 --- solutions: loops = 152044, leads = 151211, trials = 8215, accepted = 9
   clash = 142996
96000 --- solutions: loops = 153924, leads = 153091, trials = 8337, accepted = 9
   clash = 144754
97000 --- solutions: loops = 155832, leads = 154999, trials = 8461, accepted = 9
   clash = 146538
98000 --- solutions: loops = 157796, leads = 156963, trials = 8566, accepted = 9
   clash = 148397
99000 --- solutions: loops = 159754, leads = 158921, trials = 8660, accepted = 9
   clash = 150261
100000 --- solutions: loops = 161680, leads = 160847, trials = 8781, accepted = 9
   clash = 152066
101000 --- solutions: loops = 163462, leads = 162629, trials = 8890, accepted = 9
   clash = 153739
102000 --- solutions: loops = 165344, leads = 164511, trials = 9010, accepted = 9
   clash = 155501
103000 --- solutions: loops = 167312, leads = 166479, trials = 9158, accepted = 9
   clash = 157321
104000 --- solutions: loops = 169186, leads = 168353, trials = 9273, accepted = 9
   clash = 159080
105000 --- solutions: loops = 171002, leads = 170169, trials = 9394, accepted = 9
   clash = 160775
106000 --- solutions: loops = 172724, leads = 171891, trials = 9497, accepted = 9
   clash = 162394
107000 --- solutions: loops = 174496, leads = 173663, trials = 9593, accepted = 9
   clash = 164070
108000 --- solutions: loops = 176386, leads = 175553, trials = 9738, accepted = 9
   clash = 165815
109000 --- solutions: loops = 178218, leads = 177385, trials = 9862, accepted = 9
   clash = 167523
110000 --- solutions: loops = 180060, leads = 179227, trials = 9971, accepted = 9
   clash = 169256
111000 --- solutions: loops = 181916, leads = 181083, trials = 10105, accepted = 9
   clash = 170978
112000 --- solutions: loops = 183718, leads = 182885, trials = 10201, accepted = 9
   clash = 172684
113000 --- solutions: loops = 185518, leads = 184685, trials = 10302, accepted = 9
   clash = 174383
114000 --- solutions: loops = 187410, leads = 186577, trials = 10390, accepted = 9
   clash = 176187
115000 --- solutions: loops = 189296, leads = 188463, trials = 10549, accepted = 9
   clash = 177914
### Total ENERGY = -4.485E+02 ### (accepted)
115390 --- solutions: loops = 190014, leads = 189179, trials = 10586, accepted = 10
   clash = 178593
116000 --- solutions: loops = 190614, leads = 189662, trials = 10615, accepted = 10
   clash = 179047
117000 --- solutions: loops = 191504, leads = 190552, trials = 10686, accepted = 10
   clash = 179866
118000 --- solutions: loops = 192532, leads = 191580, trials = 10759, accepted = 10
   clash = 180821
119000 --- solutions: loops = 193588, leads = 192636, trials = 10830, accepted = 10
   clash = 181806
120000 --- solutions: loops = 194560, leads = 193608, trials = 10891, accepted = 10
   clash = 182717
121000 --- solutions: loops = 195666, leads = 194714, trials = 10943, accepted = 10
   clash = 183771
122000 --- solutions: loops = 196638, leads = 195686, trials = 11014, accepted = 10
   clash = 184672
123000 --- solutions: loops = 197704, leads = 196752, trials = 11074, accepted = 10
   clash = 185678
124000 --- solutions: loops = 198776, leads = 197824, trials = 11109, accepted = 10
   clash = 186715
125000 --- solutions: loops = 199826, leads = 198874, trials = 11194, accepted = 10
   clash = 187680
126000 --- solutions: loops = 200932, leads = 199980, trials = 11260, accepted = 10
   clash = 188720
127000 --- solutions: loops = 201968, leads = 201016, trials = 11299, accepted = 10
   clash = 189717
128000 --- solutions: loops = 203008, leads = 202056, trials = 11357, accepted = 10
   clash = 190699
129000 --- solutions: loops = 204032, leads = 203080, trials = 11421, accepted = 10
   clash = 191659
130000 --- solutions: loops = 205050, leads = 204098, trials = 11469, accepted = 10
   clash = 192629
131000 --- solutions: loops = 206012, leads = 205060, trials = 11511, accepted = 10
   clash = 193549
132000 --- solutions: loops = 207036, leads = 206084, trials = 11585, accepted = 10
   clash = 194499
133000 --- solutions: loops = 208148, leads = 207196, trials = 11635, accepted = 10
   clash = 195561
134000 --- solutions: loops = 209216, leads = 208264, trials = 11685, accepted = 10
   clash = 196579
135000 --- solutions: loops = 210204, leads = 209252, trials = 11742, accepted = 10
   clash = 197510
136000 --- solutions: loops = 211184, leads = 210232, trials = 11810, accepted = 10
   clash = 198422
137000 --- solutions: loops = 212170, leads = 211218, trials = 11854, accepted = 10
   clash = 199364
138000 --- solutions: loops = 213256, leads = 212304, trials = 11894, accepted = 10
   clash = 200410
139000 --- solutions: loops = 214306, leads = 213354, trials = 11962, accepted = 10
   clash = 201392
Read_PDB_File_Coords_Unordered: too few atoms (99 < 107) read from m_Etmp.pdb
