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HEAD
Merge branch 'master' of git://git.gromacs.org/gromacs
[gromacs/adressmacs.git]
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charmm27.ff
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aminoacids.hdb
blob
84e085994a6f11699982c1513eaa7d0d847351dd
1
ACE 1
2
3 4 HH3 CH3 C O
3
AIB 3
4
1 1 HN N -C CA
5
3 4 HB1 CB1 CA N
6
3 4 HB2 CB2 CA N
7
ALA 3
8
1 1 HN N -C CA
9
1 5 HA CA N C CB
10
3 4 HB CB CA N
11
ARG 8
12
1 1 HN 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 HN 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 HN 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 HN N -C CA
36
1 5 HA CA N C CB
37
2 6 HB CB CG CA
38
ASPP 4
39
1 1 HN 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 HN N -C CA
45
1 5 HA CA N C CB
46
2 6 HB CB SG CA
47
CYS 4
48
1 1 HN N -C CA
49
1 5 HA CA N C CB
50
2 6 HB CB SG CA
51
1 2 HG1 SG CB CA
52
GLN 5
53
1 1 HN 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
GLU 4
59
1 1 HN 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
GLUP 5
64
1 1 HN N -C CA
65
1 5 HA CA N C CB
66
2 6 HB CB CG CA
67
2 6 HG CG CD CB
68
1 2 HE2 OE2 CD CG
69
GLY 2
70
1 1 HN N -C CA
71
2 6 HA CA C N
72
HIS1 6
73
1 1 HN N -C CA
74
1 5 HA CA N C CB
75
2 6 HB CB CG CA
76
1 1 HD2 CD2 CG NE2
77
1 1 HE1 CE1 ND1 NE2
78
1 1 HD1 ND1 CG CE1
79
HSD 6
80
1 1 HN N -C CA
81
1 5 HA CA N C CB
82
2 6 HB CB CG CA
83
1 1 HD2 CD2 CG NE2
84
1 1 HE1 CE1 ND1 NE2
85
1 1 HD1 ND1 CG CE1
86
HSE 6
87
1 1 HN N -C CA
88
2 6 HB CB CG CA
89
1 5 HA CA N C CB
90
1 1 HE2 NE2 CE1 CD2
91
1 1 HD2 CD2 CG NE2
92
1 1 HE1 CE1 ND1 NE2
93
HSP 7
94
1 1 HN N -C CA
95
1 5 HA CA N C CB
96
2 6 HB CB CG CA
97
1 1 HD2 CD2 CG NE2
98
1 1 HE1 CE1 ND1 NE2
99
1 1 HD1 ND1 CG CE1
100
1 1 HE2 NE2 CE1 CD2
101
HO4 1
102
3 10 HW OW
103
HO5 1
104
4 11 HW OW
105
HOH 1
106
2 7 HW OW
107
ILE 6
108
1 1 HN N -C CA
109
1 5 HA CA N C CB
110
1 5 HB CB CA CG1 CG2
111
2 6 HG1 CG1 CD CB
112
3 4 HG2 CG2 CB CA
113
3 4 HD CD CG1 CB
114
LEU 6
115
1 1 HN N -C CA
116
1 5 HA CA N C CB
117
2 6 HB CB CG CA
118
1 5 HG CG CB CD1 CD2
119
3 4 HD1 CD1 CG CB
120
3 4 HD2 CD2 CG CB
121
LSN 7
122
1 1 HN N -C CA
123
1 5 HA CA N C CB
124
2 6 HB CB CG CA
125
2 6 HG CG CD CB
126
2 6 HD CD CE CG
127
2 6 HE CE NZ CD
128
2 4 HZ NZ CE CD
129
LYS 7
130
1 1 HN N -C CA
131
1 5 HA CA N C CB
132
2 6 HB CB CG CA
133
2 6 HG CG CD CB
134
2 6 HD CD CE CG
135
2 6 HE CE NZ CD
136
3 4 HZ NZ CE CD
137
MET 5
138
1 1 HN N -C CA
139
1 5 HA CA N C CB
140
2 6 HB CB CG CA
141
2 6 HG CG SD CB
142
3 4 HE CE SD CG
143
PHE 8
144
1 1 HN N -C CA
145
1 5 HA CA N C CB
146
2 6 HB CB CG CA
147
1 1 HD1 CD1 CG CE1
148
1 1 HD2 CD2 CG CE2
149
1 1 HE1 CE1 CD1 CZ
150
1 1 HE2 CE2 CD2 CZ
151
1 1 HZ CZ CE1 CE2
152
PRO 4
153
1 5 HA CA N C CB
154
2 6 HB CB CG CA
155
2 6 HG CG CD CB
156
2 6 HD CD N CG
157
SER 4
158
1 1 HN N -C CA
159
1 5 HA CA N C CB
160
2 6 HB CB OG CA
161
1 2 HG1 OG CB CA
162
THR 5
163
1 1 HN N -C CA
164
1 5 HA CA N C CB
165
1 5 HB CB CA OG1 CG2
166
1 2 HG1 OG1 CB CA
167
3 4 HG2 CG2 CB CA
168
TRP 9
169
1 1 HN N -C CA
170
1 5 HA CA N C CB
171
2 6 HB CB CG CA
172
1 1 HD1 CD1 NE1 CG
173
1 1 HE1 NE1 CD1 CE2
174
1 1 HE3 CE3 CD2 CZ3
175
1 1 HZ3 CZ3 CE3 CH2
176
1 1 HH2 CH2 CZ3 CZ2
177
1 1 HZ2 CZ2 CE2 CH2
178
TYR 8
179
1 1 HN N -C CA
180
1 5 HA CA N C CB
181
2 6 HB CB CG CA
182
1 1 HD1 CD1 CG CE1
183
1 1 HD2 CD2 CG CE2
184
1 1 HE1 CE1 CD1 CZ
185
1 1 HE2 CE2 CD2 CZ
186
1 2 HH OH CZ CE1
187
VAL 5
188
1 1 HN N -C CA
189
1 5 HA CA N C CB
190
1 5 HB CB CA CG1 CG2
191
3 4 HG1 CG1 CB CA
192
3 4 HG2 CG2 CB CA