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HEAD
Removed refs to charmm files in share/top/Makefile.am
[gromacs/qmmm-gamess-us.git]
/
share
/
top
/
ffG43a2-n.tdb
blob
7b513a1fab5a03dc73d4c937e33173297d1da742
1
[ None ]
2
3
[ NH3+ ]
4
[ replace ]
5
N NL 14.0067 0.129
6
CA CH1 13.019 0.127 0
7
[ add ]
8
3 4 H N CA C
9
H 1.008 0.248
10
[ delete ]
11
H
12
[ bonds ]
13
N H1 gb_2
14
N H2 gb_2
15
N H3 gb_2
16
[ angles ]
17
H1 N H2 ga_9
18
H2 N H3 ga_9
19
H3 N H1 ga_9
20
CA N H1 ga_10
21
CA N H2 ga_10
22
CA N H3 ga_10
23
[ dihedrals ]
24
H1 N CA C gd_14
25
26
[ NH2 ]
27
[ replace ]
28
N NL 14.0067 -0.83
29
[ add ]
30
2 4 H N CA C
31
H 1.008 0.415
32
[ delete ]
33
H
34
[ bonds ]
35
N H1 gb_2
36
N H2 gb_2
37
[ angles ]
38
H1 N H2 ga_9
39
CA N H1 ga_10
40
CA N H2 ga_10
41
[ dihedrals ]
42
H1 N CA C gd_14
43
44
[ PRO-NH2+ ]
45
[ replace ]
46
N NT 14.0067 0.2
47
[ add ]
48
2 4 H N CA C
49
H 1.008 0.4
50
[ bonds ]
51
N H1 gb_2
52
N H2 gb_2
53
[ angles ]
54
H1 N H2 ga_9
55
CA N H1 ga_10
56
CA N H2 ga_10
57
CD N H1 ga_10
58
CD N H2 ga_10
59
[ dihedrals ]
60
H1 N CA C gd_14
61
62
[ PRO-NH ]
63
[ replace ]
64
N N 14.0067 -0.28
65
[ add ]
66
1 4 H N CA C
67
H 1.008 0.28
68
[ bonds ]
69
N H gb_2
70
[ angles ]
71
CA N H ga_10
72
CD N H ga_10
73
74
[ GLY-NH3+ ]
75
[ replace ]
76
N NL 14.0067 0.129
77
CA CH2 14.027 0.127 0
78
[ add ]
79
3 4 H N CA C
80
H 1.008 0.248
81
[ delete ]
82
H
83
[ bonds ]
84
N H1 gb_2
85
N H2 gb_2
86
N H3 gb_2
87
[ angles ]
88
H1 N H2 ga_9
89
H2 N H3 ga_9
90
H3 N H1 ga_9
91
CA N H1 ga_10
92
CA N H2 ga_10
93
CA N H3 ga_10
94
[ dihedrals ]
95
H1 N CA C gd_14
96