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PE_cl100.txt
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# Model for PE
30 atoms
29 bonds
28 angles
27 dihedrals
1 atom types
1 bond types
1 angle types
1 dihedral types
0.0000 158.5000 xlo xhi
0.0000 158.5000 ylo yhi
0.0000 100.0000 zlo zhi
Masses
1 14.02
Atoms
1 1 1 5.6240 5.3279 51.6059 # CG
2 1 1 7.4995 7.4810 50.2541 # CG
3 1 1 8.2322 8.0236 51.2149 # CG
4 1 1 9.6108 9.9075 51.7682 # CG
5 1 1 11.5481 11.3690 50.4167 # CG
6 1 1 12.9409 13.4562 50.2481 # CG
7 1 1 14.4708 14.8569 50.0868 # CG
8 1 1 16.1916 16.4790 50.5665 # CG
9 1 1 17.1338 17.6853 51.8189 # CG
10 1 1 19.1109 19.4000 50.3869 # CG
11 1 1 20.7544 20.3463 50.8373 # CG
12 1 1 21.6557 22.3190 51.2498 # CG
13 1 1 23.7386 23.8051 50.1344 # CG
14 1 1 25.4508 24.9976 51.5103 # CG
15 1 1 26.7424 26.8311 50.3130 # CG
16 1 1 27.9573 28.1181 51.8644 # CG
17 1 1 29.8351 29.8954 51.1650 # CG
18 1 1 31.0827 31.3549 50.0697 # CG
19 1 1 32.8854 32.4077 50.0728 # CG
20 1 1 34.2461 33.6548 50.2878 # CG
21 1 1 35.6060 35.2545 50.6483 # CG
22 1 1 36.9018 36.9064 50.7724 # CG
23 1 1 38.6098 38.1669 50.3762 # CG
24 1 1 39.5946 39.8232 51.5392 # CG
25 1 1 41.2341 41.7404 51.3856 # CG
26 1 1 43.3241 43.3280 50.5867 # CG
27 1 1 44.3094 44.5230 50.6506 # CG
28 1 1 46.3318 46.3103 51.1140 # CG
29 1 1 47.2630 47.6806 50.4673 # CG
30 1 1 48.9564 48.8846 51.0772 # CG
Bonds
1 1 1 2
2 1 2 3
3 1 3 4
4 1 4 5
5 1 5 6
6 1 6 7
7 1 7 8
8 1 8 9
9 1 9 10
10 1 10 11
11 1 11 12
12 1 12 13
13 1 13 14
14 1 14 15
15 1 15 16
16 1 16 17
17 1 17 18
18 1 18 19
19 1 19 20
20 1 20 21
21 1 21 22
22 1 22 23
23 1 23 24
24 1 24 25
25 1 25 26
26 1 26 27
27 1 27 28
28 1 28 29
29 1 29 30
Angles
1 1 1 2 3
2 1 2 3 4
3 1 3 4 5
4 1 4 5 6
5 1 5 6 7
6 1 6 7 8
7 1 7 8 9
8 1 8 9 10
9 1 9 10 11
10 1 10 11 12
11 1 11 12 13
12 1 12 13 14
13 1 13 14 15
14 1 14 15 16
15 1 15 16 17
16 1 16 17 18
17 1 17 18 19
18 1 18 19 20
19 1 19 20 21
20 1 20 21 22
21 1 21 22 23
22 1 22 23 24
23 1 23 24 25
24 1 24 25 26
25 1 25 26 27
26 1 26 27 28
27 1 27 28 29
28 1 28 29 30
Dihedrals
1 1 1 2 3 4
2 1 2 3 4 5
3 1 3 4 5 6
4 1 4 5 6 7
5 1 5 6 7 8
6 1 6 7 8 9
7 1 7 8 9 10
8 1 8 9 10 11
9 1 9 10 11 12
10 1 10 11 12 13
11 1 11 12 13 14
12 1 12 13 14 15
13 1 13 14 15 16
14 1 14 15 16 17
15 1 15 16 17 18
16 1 16 17 18 19
17 1 17 18 19 20
18 1 18 19 20 21
19 1 19 20 21 22
20 1 20 21 22 23
21 1 21 22 23 24
22 1 22 23 24 25
23 1 23 24 25 26
24 1 24 25 26 27
25 1 25 26 27 28
26 1 26 27 28 29
27 1 27 28 29 30