hi everyone
this is part of my input code.i have used both nsq and bin for neighbor…minimization cg and fire but it shows this error “bond atom missing at proc,step…”…it shows two warnings "inconsistent image flag and Bond/angle/dihedral extent > half of periodic box length (…/domain.cpp:667)"i have checked the manual and mailing list.does anybody know what should i do?
thanks
regard
data file :
1122 atoms
748 bonds
374 angles
0 dihedrals
0 impropers
3 atom types
1 bond types
1 angle types
0 dihedral types
0 improper types
-12.498 12.43 xlo xhi
-12.397 12.45 ylo yhi
-12.304 12.371 zlo zhi
Masses
1 1.008
2 15.9994
3 63.546
Atoms
1 1 2 -0.834 -8.832 -2.418 3.404
2 1 1 0.417 -9.276 -2.049 2.601
3 1 1 0.417 -9.408 -2.121 4.127
4 2 2 -0.834 -6.467 -7.624 8.391
5 2 1 0.417 -6.422 -7.276 9.298
6 2 1 0.417 -5.908 -8.412 8.461
7 3 2 -0.834 -4.176 1.311 8.832
8 3 1 0.417 -3.867 0.848 9.612
9 3 1 0.417 -3.495 1.993 8.567
10 4 2 -0.834 -8.714 3.818 -11.19
11 4 1 0.417 -8.719 2.888 -11.304
12 4 1 0.417 -7.972 4.08 -11.719
13 5 2 -0.834 -6.295 -5.509 5.942
14 5 1 0.417 -5.718 -5.153 6.652
15 5 1 0.417 -7.191 -5.438 6.3
16 6 2 -0.834 4.57 1.772 -8.774
17 6 1 0.417 3.57 1.772 -8.774
18 6 1 0.417 4.305 2.954 -8.055
19 7 2 -0.834 -9.75 -3.656 -2.871
20 7 1 0.417 -10.39 -4.21 -2.502
21 7 1 0.417 -10.336 -3.255 -3.538
22 8 2 -0.834 -8.565 3.695 9.609
23 8 1 0.417 -7.63 3.534 9.485
24 8 1 0.417 -8.845 2.867 10.081
25 9 2 -0.834 -12.498 -6.833 2.091
26 9 1 0.417 -12.017 -6.51 1.33
27 9 1 0.417 -11.892 -6.719 2.847
28 10 2 -0.834 -10.839 -5.819 -10.557
29 10 1 0.417 -10.557 -6.761 -10.519
30 10 1 0.417 -11.722 -5.901 -11.017
31 11 2 -0.834 -7.679 8.103 -1.261
32 11 1 0.417 -7.034 8.282 -0.537
33 11 1 0.417 -7.116 8.414 -2.044
34 12 2 -0.834 -11.161 -8.718 10.314
35 12 1 0.417 -11.661 -9.075 9.587
36 12 1 0.417 -10.725 -9.423 10.638
37 13 2 -0.834 -12.015 2.637 9.976
38 13 1 0.417 -11.856 2.925 10.849
39 13 1 0.417 -12.188 3.461 9.475
40 14 2 -0.834 -6.892 11.418 0.459
41 14 1 0.417 -7.66 11.122 0.045
42 14 1 0.417 -6.463 11.836 -0.292
43 15 2 -0.834 -2.074 -4.896 -10.096
44 15 1 0.417 -1.739 -4.099 -10.506
45 15 1 0.417 -2.252 -4.611 -9.192
46 16 2 -0.834 -8.231 10.252 3.765
47 16 1 0.417 -8.351 11.18 3.388
48 16 1 0.417 -7.439 10.296 4.276
49 17 2 -0.834 -8.901 1.189 11.083
50 17 1 0.417 -9.07 0.376 11.562
51 17 1 0.417 -7.939 1.269 11.161
52 18 2 -0.834 10.072 -6.258 -9.022
53 18 1 0.417 9.205 -6.655 -8.67
.
.
.
Bonds
1 1 1 2
2 1 1 3
3 1 4 5
4 1 4 6
5 1 7 8
6 1 7 9
7 1 10 11
8 1 10 12
9 1 13 14
10 1 13 15
11 1 16 17
12 1 16 18
13 1 19 20
14 1 19 21
15 1 22 23
16 1 22 24
17 1 25 26
18 1 25 27
19 1 28 29
20 1 28 30
21 1 31 32
22 1 31 33
23 1 34 35
24 1 34 36
25 1 37 38
26 1 37 39
27 1 40 41
28 1 40 42
29 1 43 44
30 1 43 45
31 1 46 47
32 1 46 48
33 1 49 50
34 1 49 51
35 1 52 53
36 1 52 54
37 1 55 56
38 1 55 57
39 1 58 59
40 1 58 60
41 1 61 62
42 1 61 63
43 1 64 65
44 1 64 66
45 1 67 68
46 1 67 69
47 1 70 71
48 1 70 72
49 1 73 74
50 1 73 75
51 1 76 77
52 1 76 78
53 1 79 80
54 1 79 81
55 1 82 83
56 1 82 84
57 1 85 86
58 1 85 87
59 1 88 89
60 1 88 90
61 1 91 92
62 1 91 93
63 1 94 95
64 1 94 96
65 1 97 98
66 1 97 99
67 1 100 101
68 1 100 102
69 1 103 104
70 1 103 105
71 1 106 107
72 1 106 108
73 1 109 110
74 1 109 111
75 1 112 113
76 1 112 114
77 1 115 116
78 1 115 117
79 1 118 119
80 1 118 120
81 1 121 122
82 1 121 123
83 1 124 125
84 1 124 126
85 1 127 128
86 1 127 129
87 1 130 131
88 1 130 132
89 1 133 134
90 1 133 135
91 1 136 137
92 1 136 138
93 1 139 140
94 1 139 141
95 1 142 143
96 1 142 144
97 1 145 146
98 1 145 147
99 1 148 149
100 1 148 150
101 1 151 152
102 1 151 153
103 1 154 155
104 1 154 156
105 1 157 158
106 1 157 159
107 1 160 161
108 1 160 162
109 1 163 164
110 1 163 165
111 1 166 167
112 1 166 168
113 1 169 170
114 1 169 171
115 1 172 173
116 1 172 174
117 1 175 176
118 1 175 177
119 1 178 179
120 1 178 180
121 1 181 182
122 1 181 183
123 1 184 185
124 1 184 186
125 1 187 188
126 1 187 189
127 1 190 191
128 1 190 192
129 1 193 194
130 1 193 195
131 1 196 197
132 1 196 198
133 1 199 200
134 1 199 201
135 1 202 203
136 1 202 204
137 1 205 206
138 1 205 207
139 1 208 209
140 1 208 210
141 1 211 212
142 1 211 213
143 1 214 215
144 1 214 216
145 1 217 218
146 1 217 219
147 1 220 221
148 1 220 222
149 1 223 224
150 1 223 225
151 1 226 227
152 1 226 228
153 1 229 230
154 1 229 231
.
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