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lammps/examples/USER/colvars/peptide.psf
44904c5bf3e6master

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peptide.psf
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PSF
1 !NTITLE
REMARKS VMD-generated NAMD/X-Plor PSF structure file
84 !NATOM
1 0 UNK O O 0.000000 12.0000 0
2 0 UNK C C 0.000000 12.0000 0
3 0 UNK O O 0.000000 12.0000 0
4 0 UNK H H 0.000000 12.0000 0
5 0 UNK H H 0.000000 12.0000 0
6 0 UNK H H 0.000000 12.0000 0
7 0 UNK C C 0.000000 12.0000 0
8 0 UNK C C 0.000000 12.0000 0
9 0 UNK O O 0.000000 12.0000 0
10 0 UNK O O 0.000000 12.0000 0
11 0 UNK C C 0.000000 12.0000 0
12 0 UNK C C 0.000000 12.0000 0
13 0 UNK C C 0.000000 12.0000 0
14 0 UNK C C 0.000000 12.0000 0
15 0 UNK C C 0.000000 12.0000 0
16 0 UNK C C 0.000000 12.0000 0
17 0 UNK C C 0.000000 12.0000 0
18 0 UNK O O 0.000000 12.0000 0
19 0 UNK 10 10 0.000000 12.0000 0
20 0 UNK H H 0.000000 12.0000 0
21 0 UNK H H 0.000000 12.0000 0
22 0 UNK H H 0.000000 12.0000 0
23 0 UNK 11 11 0.000000 12.0000 0
24 0 UNK 11 11 0.000000 12.0000 0
25 0 UNK 11 11 0.000000 12.0000 0
26 0 UNK 11 11 0.000000 12.0000 0
27 0 UNK 10 10 0.000000 12.0000 0
28 0 UNK C C 0.000000 12.0000 0
29 0 UNK C C 0.000000 12.0000 0
30 0 UNK O O 0.000000 12.0000 0
31 0 UNK O O 0.000000 12.0000 0
32 0 UNK 10 10 0.000000 12.0000 0
33 0 UNK H H 0.000000 12.0000 0
34 0 UNK H H 0.000000 12.0000 0
35 0 UNK C C 0.000000 12.0000 0
36 0 UNK C C 0.000000 12.0000 0
37 0 UNK O O 0.000000 12.0000 0
38 0 UNK O O 0.000000 12.0000 0
39 0 UNK 10 10 0.000000 12.0000 0
40 0 UNK H H 0.000000 12.0000 0
41 0 UNK H H 0.000000 12.0000 0
42 0 UNK C C 0.000000 12.0000 0
43 0 UNK C C 0.000000 12.0000 0
44 0 UNK O O 0.000000 12.0000 0
45 0 UNK O O 0.000000 12.0000 0
46 0 UNK C C 0.000000 12.0000 0
47 0 UNK C C 0.000000 12.0000 0
48 0 UNK C C 0.000000 12.0000 0
49 0 UNK C C 0.000000 12.0000 0
50 0 UNK C C 0.000000 12.0000 0
51 0 UNK C C 0.000000 12.0000 0
52 0 UNK C C 0.000000 12.0000 0
53 0 UNK 10 10 0.000000 12.0000 0
54 0 UNK H H 0.000000 12.0000 0
55 0 UNK H H 0.000000 12.0000 0
56 0 UNK H H 0.000000 12.0000 0
57 0 UNK 11 11 0.000000 12.0000 0
58 0 UNK 11 11 0.000000 12.0000 0
59 0 UNK 11 11 0.000000 12.0000 0
60 0 UNK 11 11 0.000000 12.0000 0
61 0 UNK 11 11 0.000000 12.0000 0
62 0 UNK C C 0.000000 12.0000 0
63 0 UNK C C 0.000000 12.0000 0
64 0 UNK O O 0.000000 12.0000 0
65 0 UNK O O 0.000000 12.0000 0
66 0 UNK C C 0.000000 12.0000 0
67 0 UNK C C 0.000000 12.0000 0
68 0 UNK 12 12 0.000000 12.0000 0
69 0 UNK C C 0.000000 12.0000 0
70 0 UNK 10 10 0.000000 12.0000 0
71 0 UNK H H 0.000000 12.0000 0
72 0 UNK H H 0.000000 12.0000 0
73 0 UNK H H 0.000000 12.0000 0
74 0 UNK H H 0.000000 12.0000 0
75 0 UNK H H 0.000000 12.0000 0
76 0 UNK H H 0.000000 12.0000 0
77 0 UNK H H 0.000000 12.0000 0
78 0 UNK H H 0.000000 12.0000 0
79 0 UNK C C 0.000000 12.0000 0
80 0 UNK C C 0.000000 12.0000 0
81 0 UNK 10 10 0.000000 12.0000 0
82 0 UNK H H 0.000000 12.0000 0
83 0 UNK H H 0.000000 12.0000 0
84 0 UNK H H 0.000000 12.0000 0
0 !NBOND: bonds
0 !NTHETA: angles
0 !NPHI: dihedrals
0 !NIMPHI: impropers
0 !NDON: donors
0 !NACC: acceptors
0 !NNB
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0
1 0 !NGRP
0 0 0
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