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HEAD
Added cool quote from Viveca's defense
[gromacs.git]
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charmm27.ff
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aminoacids.hdb
blob
4775ad7989216799e30e2559a51a73fe2a6801fc
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
CT3 2
44
1 1 HN N -C CH3
45
3 4 HH3 CH3 N HN
46
CYS2 3
47
1 1 HN N -C CA
48
1 5 HA CA N C CB
49
2 6 HB CB SG CA
50
CYS 4
51
1 1 HN N -C CA
52
1 5 HA CA N C CB
53
2 6 HB CB SG CA
54
1 2 HG1 SG CB CA
55
GLN 5
56
1 1 HN N -C CA
57
1 5 HA CA N C CB
58
2 6 HB CB CG CA
59
2 6 HG CG CD CB
60
2 3 HE2 NE2 CD CG
61
GLU 4
62
1 1 HN N -C CA
63
1 5 HA CA N C CB
64
2 6 HB CB CG CA
65
2 6 HG CG CD CB
66
GLUP 5
67
1 1 HN N -C CA
68
1 5 HA CA N C CB
69
2 6 HB CB CG CA
70
2 6 HG CG CD CB
71
1 2 HE2 OE2 CD CG
72
GLY 2
73
1 1 HN N -C CA
74
2 6 HA CA C N
75
HSD 6
76
1 1 HN N -C CA
77
1 5 HA CA N C CB
78
2 6 HB CB CG CA
79
1 1 HD2 CD2 CG NE2
80
1 1 HE1 CE1 ND1 NE2
81
1 1 HD1 ND1 CG CE1
82
HSE 6
83
1 1 HN N -C CA
84
2 6 HB CB CG CA
85
1 5 HA CA N C CB
86
1 1 HE2 NE2 CE1 CD2
87
1 1 HD2 CD2 CG NE2
88
1 1 HE1 CE1 ND1 NE2
89
HSP 7
90
1 1 HN N -C CA
91
1 5 HA CA N C CB
92
2 6 HB CB CG CA
93
1 1 HD2 CD2 CG NE2
94
1 1 HE1 CE1 ND1 NE2
95
1 1 HD1 ND1 CG CE1
96
1 1 HE2 NE2 CE1 CD2
97
HO4 1
98
3 10 HW OW
99
HO5 1
100
4 11 HW OW
101
HOH 1
102
2 7 HW OW
103
ILE 6
104
1 1 HN N -C CA
105
1 5 HA CA N C CB
106
1 5 HB CB CA CG1 CG2
107
2 6 HG1 CG1 CD CB
108
3 4 HG2 CG2 CB CA
109
3 4 HD CD CG1 CB
110
LEU 6
111
1 1 HN N -C CA
112
1 5 HA CA N C CB
113
2 6 HB CB CG CA
114
1 5 HG CG CB CD1 CD2
115
3 4 HD1 CD1 CG CB
116
3 4 HD2 CD2 CG CB
117
LSN 7
118
1 1 HN N -C CA
119
1 5 HA CA N C CB
120
2 6 HB CB CG CA
121
2 6 HG CG CD CB
122
2 6 HD CD CE CG
123
2 6 HE CE NZ CD
124
2 4 HZ NZ CE CD
125
LYS 7
126
1 1 HN N -C CA
127
1 5 HA CA N C CB
128
2 6 HB CB CG CA
129
2 6 HG CG CD CB
130
2 6 HD CD CE CG
131
2 6 HE CE NZ CD
132
3 4 HZ NZ CE CD
133
MET 5
134
1 1 HN N -C CA
135
1 5 HA CA N C CB
136
2 6 HB CB CG CA
137
2 6 HG CG SD CB
138
3 4 HE CE SD CG
139
PHE 8
140
1 1 HN N -C CA
141
1 5 HA CA N C CB
142
2 6 HB CB CG CA
143
1 1 HD1 CD1 CG CE1
144
1 1 HD2 CD2 CG CE2
145
1 1 HE1 CE1 CD1 CZ
146
1 1 HE2 CE2 CD2 CZ
147
1 1 HZ CZ CE1 CE2
148
PRO 4
149
1 5 HA CA N C CB
150
2 6 HB CB CG CA
151
2 6 HG CG CD CB
152
2 6 HD CD N CG
153
SER 4
154
1 1 HN N -C CA
155
1 5 HA CA N C CB
156
2 6 HB CB OG CA
157
1 2 HG1 OG CB CA
158
THR 5
159
1 1 HN N -C CA
160
1 5 HA CA N C CB
161
1 5 HB CB CA OG1 CG2
162
1 2 HG1 OG1 CB CA
163
3 4 HG2 CG2 CB CA
164
TRP 9
165
1 1 HN N -C CA
166
1 5 HA CA N C CB
167
2 6 HB CB CG CA
168
1 1 HD1 CD1 NE1 CG
169
1 1 HE1 NE1 CD1 CE2
170
1 1 HE3 CE3 CD2 CZ3
171
1 1 HZ3 CZ3 CE3 CH2
172
1 1 HH2 CH2 CZ3 CZ2
173
1 1 HZ2 CZ2 CE2 CH2
174
TYR 8
175
1 1 HN N -C CA
176
1 5 HA CA N C CB
177
2 6 HB CB CG CA
178
1 1 HD1 CD1 CG CE1
179
1 1 HD2 CD2 CG CE2
180
1 1 HE1 CE1 CD1 CZ
181
1 1 HE2 CE2 CD2 CZ
182
1 2 HH OH CZ CE1
183
VAL 5
184
1 1 HN N -C CA
185
1 5 HA CA N C CB
186
1 5 HB CB CA CG1 CG2
187
3 4 HG1 CG1 CB CA
188
3 4 HG2 CG2 CB CA