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53fc89d5034a747aec39c5e01d28bb69f5841a8e
[alexxy/gromacs.git]
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charmm27.ff
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aminoacids.n.tdb
1
[ None ]
2
3
[ GLY-NH3+ ]
4
[ replace ]
5
N N NH3 14.0027 -0.3
6
CA CA CT2 12.011 0.13
7
[ Add ]
8
3 4 H N CA C
9
HC 1.008 0.33 -1
10
[ delete ]
11
HN
12
13
[ NH3+ ]
14
[ replace ]
15
N N NH3 14.0027 -0.3
16
CA CA CT1 12.011 0.21
17
HA HA HB 1.008 0.10
18
[ Add ]
19
3 4 H N CA C
20
HC 1.008 0.33 -1
21
[ delete ]
22
HN
23
24
[ PRO-NH2+ ]
25
[ replace ]
26
N N NP 14.0027 -0.07
27
CA CA CP1 12.011 0.16
28
CD CD CP3 12.011 0.16
29
[ add ]
30
2 4 H N CA C
31
HC 1.008 0.24 -1
32
33
;
34
[ NH2 ]
35
[ replace ]
36
N NH2 14.0067 -0.96
37
CA CT1 12.011 0.19
38
HA HB 1.008 0.09
39
[ add ]
40
2 4 HT N CA C
41
H 1.008 0.34 -1
42
[ delete ]
43
HN
44
45
46
;
47
[ GLY-NH2 ]
48
[ replace ]
49
N NH2 14.0067 -0.96
50
CA CT2 12.011 0.10
51
[ add ]
52
2 4 HT N CA C
53
H 1.008 0.34 -1
54
[ delete ]
55
HN
56
57
58
;
59
[ PRO-NH ]
60
[ replace ]
61
N NP 14.0027 -0.40
62
CA CP1 12.011 -0.08
63
CD CP3 12.011 -0.10
64
[ add ]
65
1 4 H N CA C
66
HC 1.008 0.31 -1
67
68
69