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HEAD
Correct nrdf for 1D/2D systems
[gromacs/AngularHB.git]
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gromos53a6.ff
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aminoacids.hdb
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c4d5386d2b5679aa510725888793612a5f22913f
1
ABU 1
2
1 1 H N -C CA
3
ACEH 1
4
3 4 HA CA C O
5
AIB 1
6
1 1 H N -C CA
7
ALA 1
8
1 1 H N -C CA
9
ARG 4
10
1 1 H N -C CA
11
1 1 HE NE CD CZ
12
2 3 HH1 NH1 CZ NE
13
2 3 HH2 NH2 CZ NE
14
ARGN 4
15
1 1 H N -C CA
16
1 1 HE NE CD CZ
17
1 2 HH1 NH1 CZ NE
18
2 3 HH2 NH2 CZ NE
19
ASN 2
20
1 1 H N -C CA
21
2 3 HD2 ND2 CG CB
22
ASP 1
23
1 1 H N -C CA
24
ASP1 2
25
1 1 H N -C CA
26
1 2 HD1 OD1 CG CB
27
ASPH 2
28
1 1 H N -C CA
29
1 2 HD2 OD2 CG CB
30
ATP 4
31
2 3 AH6 AN6 AC6 AC5
32
1 2 AH2* AO2* AC2* AC3*
33
1 2 AH3* AO3* AC3* AC2*
34
1 2 AH3G AO3G APG AO2G
35
BEN 7
36
1 1 H2 C2 C1 C3
37
1 1 H3 C3 C2 C4
38
1 1 H4 C4 C3 C5
39
1 1 H5 C5 C4 C6
40
1 1 H6 C6 C5 C1
41
2 3 H1 N1 C7 C1
42
2 3 H2 N2 C7 C1
43
CYS2 1
44
1 1 H N -C CA
45
CYSH 2
46
1 1 H N -C CA
47
1 2 HG SG CB CA
48
DADE 3
49
1 1 H2 C2 N1 N3
50
1 1 H8 C8 N7 N9
51
2 3 H6 N6 C6 C5
52
DTHY 2
53
1 1 H3 N3 C2 C4
54
1 1 H6 C6 C5 N1
55
FAD 7
56
2 3 HN6 AN6 AC6 AC5
57
1 2 HO2* AO2* AC2* AC1*
58
1 2 HO3* AO3* AC3* AC2*
59
1 2 H4* O4* C4* C5*
60
1 2 H3* O3* C3* C4*
61
1 2 H2* O2* C2* C3*
62
1 2 H3 N3 C4 C4A
63
GLN 2
64
1 1 H N -C CA
65
2 3 HE2 NE2 CD CG
66
GLU 1
67
1 1 H N -C CA
68
GLUH 2
69
1 1 H N -C CA
70
1 2 HE2 OE2 CD CG
71
GLY 1
72
1 1 H N -C CA
73
HEME 4
74
1 1 HHA CHA C1A C4D
75
1 1 HHB CHB C1B C4A
76
1 1 HHC CHC C1C C4B
77
1 1 HHD CHD C1D C4C
78
HIS1 4
79
1 1 H N -C CA
80
1 1 HD1 ND1 CG CE1
81
1 1 HD2 CD2 CG NE2
82
1 1 HE1 CE1 ND1 NE2
83
HIS2 4
84
1 1 H N -C CA
85
1 1 HD1 ND1 CG CE1
86
1 1 HD2 CD2 CG NE2
87
1 1 HE1 CE1 ND1 NE2
88
HISA 4
89
1 1 H N -C CA
90
1 1 HD1 ND1 CG CE1
91
1 1 HD2 CD2 CG NE2
92
1 1 HE1 CE1 ND1 NE2
93
HISB 4
94
1 1 H N -C CA
95
1 1 HD2 CD2 CG NE2
96
1 1 HE1 CE1 ND1 NE2
97
1 1 HE2 NE2 CE1 CD2
98
HISH 5
99
1 1 H N -C CA
100
1 1 HD1 ND1 CG CE1
101
1 1 HD2 CD2 CG NE2
102
1 1 HE1 CE1 ND1 NE2
103
1 1 HE2 NE2 CE1 CD2
104
HOH 1
105
2 7 HW OW
106
HYP 1
107
1 2 HD1 OD1 CG CB
108
ILE 1
109
1 1 H N -C CA
110
LEU 1
111
1 1 H N -C CA
112
LYS 2
113
1 1 H N -C CA
114
2 4 HZ NZ CE CD
115
LYSH 2
116
1 1 H N -C CA
117
3 4 HZ NZ CE CD
118
MET 1
119
1 1 H N -C CA
120
NAC 1
121
1 1 H N -C CA
122
NACH 2
123
1 1 H N -C CA
124
3 4 HA CA N NH
125
NH2 1
126
2 3 H N -C -CA
127
PHE 6
128
1 1 H N -C CA
129
1 1 HD1 CD1 CG CE1
130
1 1 HD2 CD2 CG CE2
131
1 1 HE1 CE1 CD1 CZ
132
1 1 HE2 CE2 CD2 CZ
133
1 1 HZ CZ CE1 CE2
134
PHEU 1
135
1 1 H N -C CA
136
PHL 7
137
1 1 H N -C CA
138
1 1 HD1 CD1 CG CE1
139
1 1 HD2 CD2 CG CE2
140
1 1 HE1 CE1 CD1 CZ
141
1 1 HE2 CE2 CD2 CZ
142
1 1 HZ CZ CE1 CE2
143
1 2 HY OY CX CA
144
SER 2
145
1 1 H N -C CA
146
1 2 HG OG CB CA
147
TFE 1
148
1 2 H O CH2 C
149
THR 2
150
1 1 H N -C CA
151
1 2 HG1 OG1 CB CA
152
TRP 7
153
1 1 H N -C CA
154
1 1 HD1 CD1 CG NE1
155
1 1 HE1 NE1 CD1 CE2
156
1 1 HE3 CE3 CD2 CZ3
157
1 1 HZ3 CZ3 CE3 CH2
158
1 1 HH2 CH2 CZ3 CZ2
159
1 1 HZ2 CZ2 CE2 CH2
160
TRPU 2
161
1 1 H N -C CA
162
1 1 HE1 NE1 CD1 CE2
163
TYR 6
164
1 1 H N -C CA
165
1 1 HD1 CD1 CG CE1
166
1 1 HD2 CD2 CG CE2
167
1 1 HE1 CE1 CD1 CZ
168
1 1 HE2 CE2 CD2 CZ
169
1 2 HH OH CZ CE1
170
TYRU 2
171
1 1 H N -C CA
172
1 2 HH OH CZ CE1
173
VAL 1
174
1 1 H N -C CA