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HEAD
Removed refs to charmm files in share/top/Makefile.am
[gromacs/qmmm-gamess-us.git]
/
share
/
top
/
ffgmx2.hdb
blob
6d2ce5e61b1250ffdaf3cd674ec939e568518a6a
1
ACE 1
2
3 4 HA CA C O
3
ALA 3
4
1 1 H N -C CA
5
1 5 HA CA N C CB
6
3 4 HB CB CA N
7
ARG 8
8
1 1 H N -C CA
9
1 5 HA CA N C CB
10
2 6 HB CB CG CA
11
2 6 HG CG CD CB
12
2 6 HD CD NE CG
13
1 1 HE NE CD CZ
14
2 3 HH1 NH1 CZ NE
15
2 3 HH2 NH2 CZ NE
16
ASN 4
17
1 1 H N -C CA
18
1 5 HA CA N C CB
19
2 6 HB CB CG CA
20
2 3 HD2 ND2 CG CB
21
ASP 3
22
1 1 H N -C CA
23
1 5 HA CA N C CB
24
2 6 HB CB CG CA
25
ASPH 4
26
1 1 H N -C CA
27
1 5 HA CA N C CB
28
2 6 HB CB CG CA
29
1 2 HD1 OD1 CG CB
30
CYS2 3
31
1 1 H N -C CA
32
1 5 HA CA N C CB
33
2 6 HB CB SG CA
34
CYSH 4
35
1 1 H N -C CA
36
1 5 HA CA N C CB
37
2 6 HB CB SG CA
38
1 2 HG SG CB CA
39
FAD 7
40
2 3 HN6 AN6 AC6 AC5
41
1 2 HO2* AO2* AC2* AC1*
42
1 2 HO3* AO3* AC3* AC2*
43
1 2 H4* O4* C4* C5*
44
1 2 H3* O3* C3* C4*
45
1 2 H2* O2* C2* C3*
46
1 2 H3 N3 C4 C4A
47
GLN 5
48
1 1 H N -C CA
49
1 5 HA CA N C CB
50
2 6 HB CB CG CA
51
2 6 HG CG CD CB
52
2 3 HE2 NE2 CD CG
53
GLU 4
54
1 1 H N -C CA
55
1 5 HA CA N C CB
56
2 6 HB CB CG CA
57
2 6 HG CG CD CB
58
GLUH 5
59
1 1 H N -C CA
60
1 5 HA CA N C CB
61
2 6 HB CB CG CA
62
2 6 HG CG CD CB
63
1 2 HE2 OE2 CD CG
64
GLY 2
65
1 1 H N -C CA
66
2 6 HA CA C N
67
HEME 18
68
3 4 HMA CMA C3A C4A
69
3 4 HMB CMB C2B C3B
70
3 4 HMC CMC C2C C3C
71
3 4 HMD CMD C2D C1D
72
3 4 HBC CBC CAC C3C
73
2 6 HAC CAC C3C CBC
74
2 6 HAB CAB CBB C3B
75
3 4 HBB CBB CAB C3B
76
1 1 HHC CHC C4B C1C
77
1 1 HHD CHD C4C C1D
78
1 1 HHB CHB C4A C1B
79
1 1 HHA CHA C4D C1A
80
2 6 HBA CBA CAA CGA
81
2 6 HAA CAA CBA C2A
82
2 6 HBD CBD CAD CGD
83
2 6 HAD CAD CBD C2D
84
1 4 H2A O2A CGA CBA
85
1 4 H2D O2D CGD CBD
86
HIS1 6
87
1 1 H N -C CA
88
1 5 HA CA N C CB
89
2 6 HB CB CG CA
90
1 1 HD2 CD2 CG NE2
91
1 1 HE1 CE1 ND1 NE2
92
1 1 HD1 ND1 CG CE1
93
HISA 6
94
1 1 H N -C CA
95
1 5 HA CA N C CB
96
2 6 HB CB CG CA
97
1 1 HD1 ND1 CG CE1
98
1 1 HD2 CD2 CG NE2
99
1 1 HE1 CE1 ND1 NE2
100
HISB 6
101
1 1 H N -C CA
102
2 6 HB CB CG CA
103
1 5 HA CA N C CB
104
1 1 HE2 NE2 CE1 CD2
105
1 1 HD2 CD2 CG NE2
106
1 1 HE1 CE1 ND1 NE2
107
HISH 7
108
1 1 H N -C CA
109
1 5 HA CA N C CB
110
2 6 HB CB CG CA
111
1 1 HD2 CD2 CG NE2
112
1 1 HE1 CE1 ND1 NE2
113
1 1 HD1 ND1 CG CE1
114
1 1 HE2 NE2 CE1 CD2
115
HO4 1
116
3 10 HW OW
117
HOH 1
118
2 7 HW OW
119
HYP 3
120
1 5 HA CA N C CB
121
1 2 HD1 OD1 CG CB
122
1 5 HG CG CB OD1 CD2
123
ILE 6
124
1 1 H N -C CA
125
1 5 HA CA N C CB
126
1 5 HB CB CA CG1 CG2
127
2 6 HG1 CG1 CD CB
128
3 4 HG2 CG2 CB CA
129
3 4 HD CD CG1 CB
130
LEU 6
131
1 1 H N -C CA
132
1 5 HA CA N C CB
133
2 6 HB CB CG CA
134
1 5 HG CG CB CD1 CD2
135
3 4 HD1 CD1 CG CB
136
3 4 HD2 CD2 CG CB
137
LYS 7
138
1 1 H N -C CA
139
1 5 HA CA N C CB
140
2 6 HB CB CG CA
141
2 6 HG CG CD CB
142
2 6 HD CD CE CG
143
2 6 HE CE NZ CD
144
2 4 HZ NZ CE CD
145
LYSH 7
146
1 1 H N -C CA
147
1 5 HA CA N C CB
148
2 6 HB CB CG CA
149
2 6 HG CG CD CB
150
2 6 HD CD CE CG
151
2 6 HE CE NZ CD
152
3 4 HZ NZ CE CD
153
MET 5
154
1 1 H N -C CA
155
1 5 HA CA N C CB
156
2 6 HB CB CG CA
157
2 6 HG CG SD CB
158
3 4 HE CE SD CG
159
NAC 2
160
1 1 H N -C CA
161
3 4 HA CA N -C
162
NH2 1
163
2 3 H N -C -CA
164
OCT 8
165
3 4 H1 C1 C2 C3
166
2 6 H2 C2 C1 C3
167
2 6 H3 C3 C2 C4
168
2 6 H4 C4 C3 C5
169
2 6 H5 C5 C4 C6
170
2 6 H6 C6 C5 C7
171
2 6 H7 C7 C6 C8
172
2 6 H8 C8 C7 O9
173
PHE 8
174
1 1 H N -C CA
175
1 5 HA CA N C CB
176
2 6 HB CB CG CA
177
1 1 HD1 CD1 CG CE1
178
1 1 HD2 CD2 CG CE2
179
1 1 HE1 CE1 CD1 CZ
180
1 1 HE2 CE2 CD2 CZ
181
1 1 HZ CZ CE1 CE2
182
PRO 4
183
1 5 HA CA N C CB
184
2 6 HB CB CG CA
185
2 6 HG CG CD CB
186
2 6 HD CD N CG
187
SER 4
188
1 1 H N -C CA
189
1 5 HA CA N C CB
190
2 6 HB CB OG CA
191
1 2 HG OG CB CA
192
TFE 1
193
1 2 H O C2 C1
194
THR 5
195
1 1 H N -C CA
196
1 5 HA CA N C CB
197
1 5 HB CB CA OG1 CG2
198
1 2 HG1 OG1 CB CA
199
3 4 HG2 CG2 CB CA
200
TRP 9
201
1 1 H N -C CA
202
1 5 HA CA N C CB
203
2 6 HB CB CG CA
204
1 1 HD1 CD1 NE1 CG
205
1 1 HE1 NE1 CD1 CE2
206
1 1 HE3 CE3 CD2 CZ3
207
1 1 HZ3 CZ3 CE3 CH2
208
1 1 HH2 CH2 CZ3 CZ2
209
1 1 HZ2 CZ2 CE2 CH2
210
TYR 8
211
1 1 H N -C CA
212
1 5 HA CA N C CB
213
2 6 HB CB CG CA
214
1 1 HD1 CD1 CG CE1
215
1 1 HD2 CD2 CG CE2
216
1 1 HE1 CE1 CD1 CZ
217
1 1 HE2 CE2 CD2 CZ
218
1 2 HH OH CZ CE1
219
VAL 5
220
1 1 H N -C CA
221
1 5 HA CA N C CB
222
1 5 HB CB CA CG1 CG2
223
3 4 HG1 CG1 CB CA
224
3 4 HG2 CG2 CB CA