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monomer.lmp
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Title
18 atoms
18 bonds
36 angles
66 dihedrals
0 impropers
2 atom types
2 bond types
2 angle types
5 dihedral types
-2.297662646 47.70233735 xlo xhi
-2.480068654 47.51993135 ylo yhi
-1.475309581 48.52469042 zlo zhi
0.0 0.0 0.0 xy xz yz
Masses
1 12.01078
2 1.007947
Pair Coeffs
1 0.10884061 3.3795318
2 0.015779483 2.6445434
Bond Coeffs
1 harmonic 215.30139056395 1.533627603844
2 harmonic 357.8191474159 1.094206460752
Angle Coeffs
1 harmonic 66.75631831595 109.9380527584
2 harmonic 36.776637850755 108.3543135269
Dihedral Coeffs
1 fourier 1 0.3549667638131 3 0
2 fourier 1 0.2399307824079 2 180
3 fourier 1 0.9156101580834 1 180
4 fourier 1 0.0985377828486 3 0
5 fourier 1 0.2279946533057 3 0
Atoms
1 1 1 -0.0764 1.1874579 0.89240372 -0.089661619
2 1 1 -0.0764 -0.23527633 1.4218786 -0.3788285
3 1 1 -0.0764 -1.2974373 0.61657995 0.40284429
4 1 1 -0.0764 -1.192231 -0.89265577 0.088505177
5 1 1 -0.0764 0.22994554 -1.4227878 0.3787414
6 1 1 -0.0764 1.293359 -0.61752781 -0.40153734
7 1 2 0.0382 1.9159457 1.44517 -0.69055811
8 1 2 0.0382 1.4346433 1.0660304 0.9620554
9 1 2 0.0382 -0.29831799 2.4792738 -0.1044861
10 1 2 0.0382 -0.44014193 1.3512631 -1.4513946
11 1 2 0.0382 -2.2976626 0.97819209 0.14573073
12 1 2 0.0382 -1.1596045 0.77639028 1.4765382
13 1 2 0.0382 -1.4380357 -1.0642371 -0.96387021
14 1 2 0.0382 -1.921743 -1.4460887 0.68754286
15 1 2 0.0382 0.2927454 -2.4800687 0.10390019
16 1 2 0.0382 0.4336698 -1.3528892 1.4515711
17 1 2 0.0382 1.1578724 -0.77879488 -1.4753096
18 1 2 0.0382 2.2931738 -0.97856462 -0.14202184
Bonds
1 1 1 2
2 1 1 6
3 2 1 7
4 2 1 8
5 1 2 3
6 2 2 9
7 2 2 10
8 1 3 4
9 2 3 11
10 2 3 12
11 1 4 5
12 2 4 13
13 2 4 14
14 1 5 6
15 2 5 15
16 2 5 16
17 2 6 17
18 2 6 18
Angles
1 1 1 2 3
2 1 1 2 9
3 1 1 2 10
4 1 1 6 5
5 1 1 6 17
6 1 1 6 18
7 1 2 1 6
8 1 2 1 7
9 1 2 1 8
10 1 2 3 4
11 1 2 3 11
12 1 2 3 12
13 1 3 2 9
14 1 3 2 10
15 1 3 4 5
16 1 3 4 13
17 1 3 4 14
18 1 4 3 11
19 1 4 3 12
20 1 4 5 6
21 1 4 5 15
22 1 4 5 16
23 1 5 4 13
24 1 5 4 14
25 1 5 6 17
26 1 5 6 18
27 1 6 1 7
28 1 6 1 8
29 1 6 5 15
30 1 6 5 16
31 2 7 1 8
32 2 9 2 10
33 2 11 3 12
34 2 13 4 14
35 2 15 5 16
36 2 17 6 18
Dihedrals
1 1 1 2 3 4
2 2 1 2 3 4
3 3 1 2 3 4
4 4 1 2 3 11
5 4 1 2 3 12
6 1 1 6 5 4
7 2 1 6 5 4
8 3 1 6 5 4
9 4 1 6 5 15
10 4 1 6 5 16
11 1 2 1 6 5
12 2 2 1 6 5
13 3 2 1 6 5
14 4 2 1 6 17
15 4 2 1 6 18
16 1 2 3 4 5
17 2 2 3 4 5
18 3 2 3 4 5
19 4 2 3 4 13
20 4 2 3 4 14
21 1 3 2 1 6
22 2 3 2 1 6
23 3 3 2 1 6
24 4 3 2 1 7
25 4 3 2 1 8
26 1 3 4 5 6
27 2 3 4 5 6
28 3 3 4 5 6
29 4 3 4 5 15
30 4 3 4 5 16
31 4 4 3 2 9
32 4 4 3 2 10
33 4 4 5 6 17
34 4 4 5 6 18
35 4 5 4 3 11
36 4 5 4 3 12
37 4 5 6 1 7
38 4 5 6 1 8
39 4 6 1 2 9
40 4 6 1 2 10
41 4 6 5 4 13
42 4 6 5 4 14
43 5 7 1 2 9
44 5 7 1 2 10
45 5 7 1 6 17
46 5 7 1 6 18
47 5 8 1 2 9
48 5 8 1 2 10
49 5 8 1 6 17
50 5 8 1 6 18
51 5 9 2 3 11
52 5 9 2 3 12
53 5 10 2 3 11
54 5 10 2 3 12
55 5 11 3 4 13
56 5 11 3 4 14
57 5 12 3 4 13
58 5 12 3 4 14
59 5 13 4 5 15
60 5 13 4 5 16
61 5 14 4 5 15
62 5 14 4 5 16
63 5 15 5 6 17
64 5 15 5 6 18
65 5 16 5 6 17
66 5 16 5 6 18