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HEAD
Removed refs to charmm files in share/top/Makefile.am
[gromacs/qmmm-gamess-us.git]
/
share
/
top
/
ffoplsaa.hdb
blob
cac9e2ab51a908093f948be7127e337032b9bec5
1
ACE 1
2
3 4 HH3 CH3 C O
3
AIB 3
4
1 1 H N -C CA
5
3 4 HB1 CB1 CA N
6
3 4 HB2 CB2 CA N
7
ALA 3
8
1 1 H N -C CA
9
1 5 HA CA N C CB
10
3 4 HB CB CA N
11
ARG 8
12
1 1 H N -C CA
13
1 5 HA CA N C CB
14
2 6 HB CB CG CA
15
2 6 HG CG CD CB
16
2 6 HD CD NE CG
17
1 1 HE NE CD CZ
18
2 3 HH1 NH1 CZ NE
19
2 3 HH2 NH2 CZ NE
20
ARGN 8
21
1 1 H N -C CA
22
1 5 HA CA N C CB
23
2 6 HB CB CG CA
24
2 6 HG CG CD CB
25
2 6 HD CD NE CG
26
1 1 HE NE CD CZ
27
1 2 HH1 NH1 CZ NE
28
2 3 HH2 NH2 CZ NE
29
ASN 4
30
1 1 H N -C CA
31
1 5 HA CA N C CB
32
2 6 HB CB CG CA
33
2 3 HD2 ND2 CG CB
34
ASP 3
35
1 1 H N -C CA
36
1 5 HA CA N C CB
37
2 6 HB CB CG CA
38
ASPH 4
39
1 1 H N -C CA
40
1 5 HA CA N C CB
41
2 6 HB CB CG CA
42
1 2 HD2 OD2 CG CB
43
CYS2 3
44
1 1 H N -C CA
45
1 5 HA CA N C CB
46
2 6 HB CB SG CA
47
CYSH 4
48
1 1 H N -C CA
49
1 5 HA CA N C CB
50
2 6 HB CB SG CA
51
1 2 HG SG CB CA
52
GLN 5
53
1 1 H N -C CA
54
1 5 HA CA N C CB
55
2 6 HB CB CG CA
56
2 6 HG CG CD CB
57
2 3 HE2 NE2 CD CG
58
QLN 6
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
2 3 HE2 NE2 CD CG
64
1 3 HE1 OE1 CD CG
65
GLU 4
66
1 1 H N -C CA
67
1 5 HA CA N C CB
68
2 6 HB CB CG CA
69
2 6 HG CG CD CB
70
PGLU 4
71
1 1 H N CD CA
72
1 5 HA CA N C CB
73
2 6 HB CB CG CA
74
2 6 HG CG CD CB
75
GLUH 5
76
1 1 H N -C CA
77
1 5 HA CA N C CB
78
2 6 HB CB CG CA
79
2 6 HG CG CD CB
80
1 2 HE2 OE2 CD CG
81
GLY 2
82
1 1 H N -C CA
83
2 6 HA CA C N
84
HIS1 6
85
1 1 H N -C CA
86
1 5 HA CA N C CB
87
2 6 HB CB CG CA
88
1 1 HD2 CD2 CG NE2
89
1 1 HE1 CE1 ND1 NE2
90
1 1 HD1 ND1 CG CE1
91
HISA 6
92
1 1 H N -C CA
93
1 5 HA CA N C CB
94
2 6 HB CB CG CA
95
1 1 HD2 CD2 CG NE2
96
1 1 HE1 CE1 ND1 NE2
97
1 1 HD1 ND1 CG CE1
98
HISB 6
99
1 1 H N -C CA
100
2 6 HB CB CG CA
101
1 5 HA CA N C CB
102
1 1 HE2 NE2 CE1 CD2
103
1 1 HD2 CD2 CG NE2
104
1 1 HE1 CE1 ND1 NE2
105
HISH 7
106
1 1 H N -C CA
107
1 5 HA CA N C CB
108
2 6 HB CB CG CA
109
1 1 HD2 CD2 CG NE2
110
1 1 HE1 CE1 ND1 NE2
111
1 1 HD1 ND1 CG CE1
112
1 1 HE2 NE2 CE1 CD2
113
HO4 1
114
3 10 HW OW
115
HO5 1
116
4 11 HW OW
117
HOH 1
118
2 7 HW OW
119
ILE 6
120
1 1 H N -C CA
121
1 5 HA CA N C CB
122
1 5 HB CB CA CG1 CG2
123
2 6 HG1 CG1 CD CB
124
3 4 HG2 CG2 CB CA
125
3 4 HD CD CG1 CB
126
LEU 6
127
1 1 H N -C CA
128
1 5 HA CA N C CB
129
2 6 HB CB CG CA
130
1 5 HG CG CB CD1 CD2
131
3 4 HD1 CD1 CG CB
132
3 4 HD2 CD2 CG CB
133
LYS 7
134
1 1 H N -C CA
135
1 5 HA CA N C CB
136
2 6 HB CB CG CA
137
2 6 HG CG CD CB
138
2 6 HD CD CE CG
139
2 6 HE CE NZ CD
140
2 4 HZ NZ CE CD
141
LYSH 7
142
1 1 H N -C CA
143
1 5 HA CA N C CB
144
2 6 HB CB CG CA
145
2 6 HG CG CD CB
146
2 6 HD CD CE CG
147
2 6 HE CE NZ CD
148
3 4 HZ NZ CE CD
149
MET 5
150
1 1 H N -C CA
151
1 5 HA CA N C CB
152
2 6 HB CB CG CA
153
2 6 HG CG SD CB
154
3 4 HE CE SD CG
155
NAC 2
156
1 1 H N -C CH3
157
3 4 HH3 CH3 N -C
158
NH2 1
159
2 3 H N -C -CA
160
PHE 8
161
1 1 H N -C CA
162
1 5 HA CA N C CB
163
2 6 HB CB CG CA
164
1 1 HD1 CD1 CG CE1
165
1 1 HD2 CD2 CG CE2
166
1 1 HE1 CE1 CD1 CZ
167
1 1 HE2 CE2 CD2 CZ
168
1 1 HZ CZ CE1 CE2
169
PRO 4
170
1 5 HA CA N C CB
171
2 6 HB CB CG CA
172
2 6 HG CG CD CB
173
2 6 HD CD N CG
174
SER 4
175
1 1 H N -C CA
176
1 5 HA CA N C CB
177
2 6 HB CB OG CA
178
1 2 HG OG CB CA
179
THR 5
180
1 1 H N -C CA
181
1 5 HA CA N C CB
182
1 5 HB CB CA OG1 CG2
183
1 2 HG1 OG1 CB CA
184
3 4 HG2 CG2 CB CA
185
TRP 9
186
1 1 H N -C CA
187
1 5 HA CA N C CB
188
2 6 HB CB CG CA
189
1 1 HD1 CD1 NE1 CG
190
1 1 HE1 NE1 CD1 CE2
191
1 1 HE3 CE3 CD2 CZ3
192
1 1 HZ3 CZ3 CE3 CH2
193
1 1 HH2 CH2 CZ3 CZ2
194
1 1 HZ2 CZ2 CE2 CH2
195
TYR 8
196
1 1 H N -C CA
197
1 5 HA CA N C CB
198
2 6 HB CB CG CA
199
1 1 HD1 CD1 CG CE1
200
1 1 HD2 CD2 CG CE2
201
1 1 HE1 CE1 CD1 CZ
202
1 1 HE2 CE2 CD2 CZ
203
1 2 HH OH CZ CE1
204
VAL 5
205
1 1 H N -C CA
206
1 5 HA CA N C CB
207
1 5 HB CB CA CG1 CG2
208
3 4 HG1 CG1 CB CA
209
3 4 HG2 CG2 CB CA
210
DMSO 2
211
3 4 HD1 CD1 SD OD
212
3 4 HD2 CD2 SD OD