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HEAD
Fixed several clang-tidy issues
[gromacs.git]
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random.dat
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3813209fa660cfcd486bfb4e6a1bf01f3844ade8
1
GLY H
8.39
2
GLY
1
HA
3.97
3
GLY
2
HA
3.97
4
GLY HA1
3.97
5
GLY HA2
3.97
6
ALA H
8.25
7
ALA HA
4.35
8
ALA
1
HB
1.40
9
ALA HB1
1.40
10
VAL H
8.44
11
VAL HA
4.18
12
VAL HB
2.13
13
VAL
1
HG1
0.96
14
VAL
1
HG2
0.96
15
VAL HG11
0.96
16
VAL HG21
0.96
17
ILE H
8.20
18
ILE HA
4.22
19
ILE HB
1.89
20
ILE
1
HG2
0.94
21
ILE HG21
0.94
22
ILE
1
HG1
1.30
23
ILE HG11
1.30
24
ILE
1
HD1
0.89
25
ILE HD11
0.89
26
LEU H
8.42
27
LEU HA
4.39
28
LEU
1
HB
1.65
29
LEU
2
HB
1.65
30
LEU HB1
1.65
31
LEU HB2
1.65
32
LEU HG
1.65
33
LEU
1
HD1
0.92
34
LEU HD11
0.92
35
LEU
1
HD2
0.92
36
LEU HD21
0.92
37
SER H
8.38
38
SER HA
4.50
39
SER
1
HB
3.89
40
SER
2
HB
3.89
41
SER HB1
3.89
42
SER HB2
3.89
43
THR H
8.24
44
THR HA
4.35
45
THR HB
4.22
46
THR
1
HG2
1.23
47
THR HG21
1.23
48
ASP H
8.41
49
ASP HA
4.77
50
ASP
1
HB
2.80
51
ASP
2
HB
2.80
52
ASP HB1
2.80
53
ASP HB2
2.80
54
GLU H
8.37
55
GLU HA
4.30
56
GLU
1
HB
2.03
57
GLU
2
HB
2.03
58
GLU HB1
2.03
59
GLU HB2
2.03
60
GLU
1
HG
2.30
61
GLU
2
HG
2.30
62
GLU HG1
2.30
63
GLU HG2
2.30
64
LYS H
8.41
65
LYS HA
4.36
66
LYS
1
HB
1.81
67
LYS
2
HB
1.81
68
LYS HB1
1.81
69
LYS HB2
1.81
70
LYS
1
HG
1.47
71
LYS
2
HG
1.47
72
LYS HG1
1.47
73
LYS HG2
1.47
74
LYS
1
HD
1.71
75
LYS
2
HD
1.71
76
LYS HD1
1.71
77
LYS HD2
1.71
78
LYS
1
HE
3.02
79
LYS
2
HE
3.02
80
LYS HE1
3.02
81
LYS HE2
3.02
82
ARG H
8.27
83
ARG HA
4.40
84
ARG
1
HB
1.85
85
ARG
2
HB
1.85
86
ARG HB1
1.85
87
ARG HB2
1.85
88
ARG
1
HG
1.72
89
ARG
2
HG
1.72
90
ARG HG1
1.72
91
ARG HG2
1.72
92
ARG
1
HD
3.31
93
ARG
2
HD
3.31
94
ARG HD1
3.31
95
ARG HD2
3.31
96
ASN H
8.75
97
ASN HA
4.76
98
ASN
1
HB
2.80
99
ASN
2
HB
2.80
100
ASN HB1
2.80
101
ASN HB2
2.80
102
GLN H
8.41
103
GLN HA
4.37
104
GLN
1
HB
2.08
105
GLN
2
HB
2.08
106
GLN HB1
2.08
107
GLN HB2
2.08
108
GLN
1
HG
2.38
109
GLN
2
HG
2.38
110
GLN HG1
2.38
111
GLN HG2
2.38
112
MET H
8.42
113
MET HA
4.51
114
MET
1
HB
2.08
115
MET
2
HB
2.08
116
MET HB1
2.08
117
MET HB2
2.08
118
MET
1
HG
2.63
119
MET
2
HG
2.63
120
MET HG1
2.63
121
MET HG2
2.63
122
MET
1
HE
2.13
123
MET HE1
2.13
124
CYS H
8.31
125
CYS HA
4.69
126
CYS
1
HB
3.16
127
CYS
2
HB
3.16
128
CYS HB1
3.16
129
CYS HB2
3.16
130
TRP H
8.09
131
TRP HA
4.70
132
TRP
1
HB
3.26
133
TRP
2
HB
3.26
134
TRP HB1
3.26
135
TRP HB2
3.26
136
TRP HE1
9.99
137
TRP HD1
7.24
138
TRP HE3
7.65
139
TRP HZ3
7.17
140
TRP HH2
7.24
141
TRP HZ2
7.50
142
PHE H
8.23
143
PHE HA
4.66
144
PHE
1
HB
3.11
145
PHE
2
HB
3.11
146
PHE HB1
3.11
147
PHE HB2
3.11
148
PHE HD1
7.34
149
PHE HE1
7.34
150
PHE HZ
7.34
151
TYR H
8.18
152
TYR HA
4.60
153
TYR
1
HB
3.02
154
TYR
2
HB
3.02
155
TYR HB1
3.02
156
TYR HB2
3.02
157
TYR HD1
7.15
158
TYR HE1
6.86
159
HIS H
8.42
160
HIS HA
4.63
161
HIS
1
HB
3.23
162
HIS
2
HB
3.23
163
HIS HB1
3.23
164
HIS HB2
3.23
165
HIS HE1
8.12
166
HIS HD1
7.14
167
PRO HA
4.47
168
PRO
1
HB
2.16
169
PRO
2
HB
2.16
170
PRO HB1
2.16
171
PRO HB2
2.16
172
PRO
1
HG
2.03
173
PRO
2
HG
2.03
174
PRO HG1
2.03
175
PRO HG2
2.03
176
PRO
1
HD
3.65
177
PRO
2
HD
3.65
178
PRO HD1
3.65
179
PRO HD2
3.65
180
181