gromacs-data 5.0.2-1 / usr / share / gromacs / top / gromos43a2.ff / aminoacids.n.tdb

This file is indexed.

/usr/share/gromacs/top/gromos43a2.ff/aminoacids.n.tdb is in gromacs-data 5.0.2-1.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below. 

 1
 2
 3
 4
 5
 6
 7
 8
 9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
[ None ]

[ NH3+ ]
[ replace ]
N		NL	14.0067	0.129
CA		CH1	13.019	0.127	0
[ add ]
3	4	H	N	CA	C
	H	1.008	0.248
[ delete ]
H
[ bonds ]
N	H1	gb_2
N	H2	gb_2
N	H3	gb_2
[ angles ]
H1	N	H2	ga_9
H2	N	H3	ga_9
H3	N	H1	ga_9
CA	N	H1	ga_10
CA	N	H2	ga_10
CA	N	H3	ga_10
[ dihedrals ]
H1	N	CA	C	gd_19

[ NH2 ]
[ replace ]
N		NL	14.0067	-0.83
[ add ]
2	4	H	N	CA	C
	H	1.008	0.415
[ delete ]
H
[ bonds ]
N	H1	gb_2
N	H2	gb_2
[ angles ]
H1	N	H2	ga_9
CA	N	H1	ga_10
CA	N	H2	ga_10
[ dihedrals ]
H1	N	CA	C	gd_19

[ PRO-NH2+ ]
[ replace ]
N		NT	14.0067	0.2
[ add ]
2	4	H	N	CA	C
	H	1.008	0.4
[ bonds ]
N	H1	gb_2
N	H2	gb_2
[ angles ]
H1	N	H2	ga_9
CA	N	H1	ga_10
CA	N	H2	ga_10
CD	N	H1	ga_10
CD	N	H2	ga_10
[ dihedrals ]
CD	N	CA	C	gd_19

[ PRO-NH ]
[ replace ]
N		N	14.0067	-0.28
[ add ]
1	4	H	N	CA	C
	H	1.008	0.28
[ bonds ]
N	H	gb_2
[ angles ]
CA	N	H	ga_10
CD	N	H	ga_10
[ dihedrals ]
CD      N       CA      C       gd_19

[ GLY-NH3+ ]
[ replace ]
N		NL	14.0067	0.129
CA		CH2	14.027	0.127	0
[ add ]
3	4	H	N	CA	C
	H	1.008	0.248
[ delete ]
H
[ bonds ]
N	H1	gb_2
N	H2	gb_2
N	H3	gb_2
[ angles ]
H1	N	H2	ga_9
H2	N	H3	ga_9
H3	N	H1	ga_9
CA	N	H1	ga_10
CA	N	H2	ga_10
CA	N	H3	ga_10
[ dihedrals ]
H1	N	CA	C	gd_19

APT Browse - Built by Thomas Orozco.