ERROR: Bonds defined but no bond types (../read_data.cpp:1121)
今天做模拟的时候出现了ERROR: Bonds defined but no bond types (../read_data.cpp:1121)，
手册上说是data文件中，文件头列出了bond但是没有bond类型。可是我在in文件里已经给出了bond style，这是怎么回事？
在网上找到的资料非常少，所以来这里求各位大神解答！！非常感谢！！
这里贴出data文件的头
LAMMPS data file. msi2lmp v3.9.8 / 06 Oct 2016 / CGCMM for C1
152 atoms
151 bonds
300 angles
441 dihedrals
4 atom types
7 bond types
15 angle types
21 dihedral types
1.5 6.5 xlo xhi
1.8 8.0 ylo yhi
0.0 53.0 zlo zhi
Masses
1 1.007970 # h
2 12.011150 # c3
3 12.011150 # c2
4 12.011150 # c1
Bond Coeffs # harmonic
1 340.6175 1.1050 # h-c3
2 322.7158 1.5260 # c3-c2
3 340.6175 1.1050 # h-c2
4 322.7158 1.5260 # c2-c2
5 322.7158 1.5260 # c2-c1
6 340.6175 1.1050 # h-c1
7 322.7158 1.5260 # c3-c1
Angle Coeffs # harmonic
1 44.4000 110.0000 # h-c3-c2
2 39.5000 106.4000 # h-c3-h
3 44.4000 110.0000 # h-c2-c3
4 46.6000 110.5000 # c3-c2-c2
5 39.5000 106.4000 # h-c2-h
6 44.4000 110.0000 # h-c2-c2
7 46.6000 110.5000 # c2-c2-c2
8 44.4000 110.0000 # h-c2-c1
9 46.6000 110.5000 # c2-c2-c1
10 44.4000 110.0000 # h-c1-c2
11 46.6000 110.5000 # c3-c1-c2
12 46.6000 110.5000 # c2-c1-c2
13 44.4000 110.0000 # h-c1-c3
14 44.4000 110.0000 # h-c3-c1
15 46.6000 110.5000 # c1-c2-c1
Dihedral Coeffs # harmonic
1 0.1581 1 3 # h-c3-c2-h
2 0.1581 1 3 # h-c3-c2-c2
3 0.1581 1 3 # c3-c2-c2-c2
4 0.1581 1 3 # h-c2-c2-c3
5 0.1581 1 3 # h-c2-c2-c2
6 0.1581 1 3 # h-c2-c2-h
7 0.1581 1 3 # c2-c2-c2-c2
8 0.1581 1 3 # c2-c2-c2-c1
9 0.1581 1 3 # h-c2-c2-c1
10 0.1581 1 3 # h-c2-c1-h
11 0.1581 1 3 # h-c2-c1-c3
12 0.1581 1 3 # h-c2-c1-c2
13 0.1581 1 3 # c2-c2-c1-h
14 0.1581 1 3 # c2-c2-c1-c3
15 0.1581 1 3 # c2-c2-c1-c2
16 0.1581 1 3 # h-c3-c1-c2
17 0.1581 1 3 # h-c3-c1-h
18 0.1581 1 3 # c1-c2-c1-c2
19 0.1581 1 3 # c1-c2-c1-h
20 0.1581 1 3 # c1-c2-c1-c3
21 0.1581 1 3 # c3-c2-c2-c1
**********************************************************************************************下面贴出的是in文件的相关部分
# 2-d LJ flow simulation
dimension 3
boundary p p p
atom_style full
bond_style harmonic
angle_style harmonic
dihedral_style harmonic
neighbor 0.3 nsq
neigh_modify delay 5
# create geometry
lattice fcc 1.0
region box block 0 30 0 10 0 80
create_box 6 box
create_atoms 2 box
mass 1 1.0
mass 2 1.0
mass 3 10.0
mass 4 10.0
# LJ potentials
pair_style lj/cut 1.12246
pair_coeff * * 1.0 1.0 1.12246
read_data C1.data add append #group f3@smutao
返回小木虫查看更多
京公网安备 11010802022153号
对了，再贴上log会不会好点。。。这里是最后与data读取相关的log部分
read_data C1.data add append #group f3
ERROR: Bonds defined but no bond types (../read_data.cpp:1121)
Last command: read_data C1.data add append #group f3
刚接触分子模拟，各位大神，拜托了！
你这个文件中只有coeff参数，但是没有成键信息啊，比如几号原子和几号原子成键？几号原子与几号原子成角？我看貌似是你的msi2lmp工具转data文件出了问题，文件不全
我这只是贴了data的head上来，后面的太长了没有贴
好吧，这是data完整的文件，也贴出来吧。。。有点长
152 atoms
151 bonds
300 angles
441 dihedrals
4 atom types
7 bond types
15 angle types
21 dihedral types
1.5 6.5 xlo xhi
1.8 8.0 ylo yhi
0.0 53.0 zlo zhi
Masses
1 1.00797 # h
2 12.01115 # c3
3 12.01115 # c2
4 12.01115 # c1
Bond Coeffs # harmonic
1 340.6175 1.1050 # h-c3
2 322.7158 1.5260 # c3-c2
3 340.6175 1.1050 # h-c2
4 322.7158 1.5260 # c2-c2
5 322.7158 1.5260 # c2-c1
6 340.6175 1.1050 # h-c1
7 322.7158 1.5260 # c3-c1
Angle Coeffs # harmonic
1 44.4000 110.0000 # h-c3-c2
2 39.5000 106.4000 # h-c3-h
3 44.4000 110.0000 # h-c2-c3
4 46.6000 110.5000 # c3-c2-c2
5 39.5000 106.4000 # h-c2-h
6 44.4000 110.0000 # h-c2-c2
7 46.6000 110.5000 # c2-c2-c2
8 44.4000 110.0000 # h-c2-c1
9 46.6000 110.5000 # c2-c2-c1
10 44.4000 110.0000 # h-c1-c2
11 46.6000 110.5000 # c3-c1-c2
12 46.6000 110.5000 # c2-c1-c2
13 44.4000 110.0000 # h-c1-c3
14 44.4000 110.0000 # h-c3-c1
15 46.6000 110.5000 # c1-c2-c1
Dihedral Coeffs # harmonic
1 0.1581 1 3 # h-c3-c2-h
2 0.1581 1 3 # h-c3-c2-c2
3 0.1581 1 3 # c3-c2-c2-c2
4 0.1581 1 3 # h-c2-c2-c3
5 0.1581 1 3 # h-c2-c2-c2
6 0.1581 1 3 # h-c2-c2-h
7 0.1581 1 3 # c2-c2-c2-c2
8 0.1581 1 3 # c2-c2-c2-c1
9 0.1581 1 3 # h-c2-c2-c1
10 0.1581 1 3 # h-c2-c1-h
11 0.1581 1 3 # h-c2-c1-c3
12 0.1581 1 3 # h-c2-c1-c2
13 0.1581 1 3 # c2-c2-c1-h
14 0.1581 1 3 # c2-c2-c1-c3
15 0.1581 1 3 # c2-c2-c1-c2
16 0.1581 1 3 # h-c3-c1-c2
17 0.1581 1 3 # h-c3-c1-h
18 0.1581 1 3 # c1-c2-c1-c2
19 0.1581 1 3 # c1-c2-c1-h
20 0.1581 1 3 # c1-c2-c1-c3
21 0.1581 1 3 # c3-c2-c2-c1
Atoms # full
1 1 1 0.1 3.377143878 5.449685123 52.1740049 # h
2 1 2 -0.3 3.673936692 6.034233676 51.24136511 # c3
3 1 3 -0.2 3.408349004 5.175450305 49.99121216 # c2
4 1 1 0.1 4.782134973 6.29641722 51.29386573 # h
5 1 1 0.1 3.059162901 6.992411276 51.18179308 # h
6 1 1 0.1 4.077366918 4.252707588 50.01489474 # h
7 1 1 0.1 2.31526241 4.852070162 49.97753971 # h
8 2 3 -0.2 3.715704474 6.00018714 48.72719109 # c2
9 2 3 -0.2 3.444695645 5.14680723 47.4737691 # c2
10 2 1 0.1 4.809916866 6.319797619 48.73937048 # h
11 2 1 0.1 3.050243471 6.925602567 48.70801045 # h
12 2 1 0.1 4.105546708 4.218152203 47.49557898 # h
13 2 1 0.1 2.348710495 4.833540301 47.45702586 # h
14 3 3 -0.2 3.763147395 5.974748433 46.21505687 # c2
15 3 3 -0.2 3.490261299 5.132276086 44.95490594 # c2
16 3 1 0.1 4.859817417 6.285533722 46.233149 # h
17 3 1 0.1 3.105477023 6.90578389 46.19948074 # h
18 3 1 0.1 4.135627424 4.192818171 44.97773898 # h
19 3 1 0.1 2.389416282 4.837487282 44.92592724 # h
20 4 3 -0.2 3.835918729 5.964014236 43.7046509 # c2
21 4 3 -0.2 3.569833472 5.137532433 42.43200397 # c2
22 4 1 0.1 4.936043264 6.260800062 43.73992324 # h
23 4 1 0.1 3.190811146 6.903800533 43.68922759 # h
24 4 1 0.1 4.192389352 4.18297068 42.46091752 # h
25 4 1 0.1 2.463276163 4.868835767 42.37784697 # h
26 5 3 -0.2 3.960431176 5.969380726 41.19492863 # c2
27 5 3 -0.2 3.710095372 5.157998109 39.90932911 # c2
28 5 1 0.1 5.064653718 6.245514701 41.25850978 # h
29 5 1 0.1 3.333595387 6.921290998 41.17161172 # h
30 5 1 0.1 4.30525996 4.186562906 39.95047172 # h
31 5 1 0.1 2.598764941 4.919953229 39.82056389 # h
32 6 3 -0.2 4.159434192 5.985182058 38.68970141 # c2
33 6 3 -0.2 3.924918101 5.184022997 37.39481356 # c2
34 6 1 0.1 5.268356928 6.231000639 38.78698218 # h
35 6 1 0.1 3.559133377 6.953567977 38.65139205 # h
36 6 1 0.1 4.491250406 4.196254264 37.45121037 # h
37 6 1 0.1 2.810582053 4.976772903 37.27273765 # h
38 7 3 -0.2 4.431276203 5.99835109 36.18860316 # c2
39 7 3 -0.2 4.198287415 5.207722816 34.8867325 # c2
40 7 1 0.1 5.545637389 6.204680565 36.31200192 # h
41 7 1 0.1 3.866337218 6.987275943 36.13888856 # h
42 7 1 0.1 4.736740879 4.204976179 34.95128494 # h
43 7 1 0.1 3.08127233 5.029181776 34.74530989 # h
44 8 3 -0.2 4.741798173 6.004158888 33.68378185 # c2
45 8 3 -0.2 4.472898728 5.221527951 32.3841532 # c2
46 8 1 0.1 5.864203566 6.160554966 33.80766226 # h
47 8 1 0.1 4.220600449 7.016733541 33.63234777 # h
48 8 1 0.1 4.987103459 4.205753814 32.44243145 # h
49 8 1 0.1 3.350227565 5.069142191 32.25770954 # h
50 9 3 -0.2 5.014328609 5.998118337 31.16728968 # c2
51 9 3 -0.2 4.655381677 5.223875238 29.88464633 # c2
52 9 1 0.1 6.147072343 6.096434851 31.24990598 # h
53 9 1 0.1 4.542494187 7.035211347 31.1297355 # h
54 9 1 0.1 5.146945803 4.195846633 29.91814032 # h
55 9 1 0.1 3.524314286 5.095987174 29.82194741 # h
56 10 3 -0.2 5.13485023 5.973384519 28.62541824 # c2
57 10 3 -0.2 4.621855265 5.202522622 27.39373179 # c2
58 10 1 0.1 6.27414495 6.010236241 28.60962428 # h
59 10 1 0.1 4.715051971 7.033195483 28.61237644 # h
60 10 1 0.1 5.085398075 4.161030978 27.38891754 # h
61 10 1 0.1 3.487744624 5.103075943 27.45292106 # h
62 11 3 -0.2 4.968622652 5.911514534 26.06930311 # c2
63 11 4 -0.1 4.254995035 5.132206132 24.94862965 # c1
64 11 1 0.1 6.095852727 5.889550757 25.90057284 # h
65 11 1 0.1 4.598126657 6.989596205 26.07782287 # h
66 11 1 0.1 4.669201539 4.070550942 24.91827856 # h
67 11 2 -0.3 2.773754999 5.074871829 25.36116778 # c3
68 11 1 0.1 2.30262746 6.104645258 25.2299981 # h
69 11 1 0.1 2.225727745 4.319998852 24.70585651 # h
70 11 1 0.1 2.695469863 4.757492868 26.45329507 # h
71 12 3 -0.2 4.480816327 5.795239759 23.56853886 # c2
72 12 4 -0.1 3.642646534 5.129485477 22.45434729 # c1
73 12 1 0.1 5.585453538 5.71996311 23.29704298 # h
74 12 1 0.1 4.193889332 6.895220556 23.65406732 # h
75 12 1 0.1 3.740566533 3.995502142 22.51832721 # h
76 12 2 -0.3 2.170132939 5.545437674 22.67335816 # c3
77 12 1 0.1 2.073277623 6.675439736 22.55797037 # h
78 12 1 0.1 1.510012217 5.026742042 21.90212834 # h
79 12 1 0.1 1.841107176 5.240902562 23.72149955 # h
80 13 3 -0.2 4.098202867 5.621157029 21.06082995 # c2
81 13 4 -0.1 3.517344253 4.751138942 19.92051816 # c1
82 13 1 0.1 5.23661727 5.590177039 21.00932418 # h
83 13 1 0.1 3.749239567 6.698769825 20.93208512 # h
84 13 1 0.1 3.940862558 3.696551266 20.0103904 # h
85 13 2 -0.3 1.984898091 4.685700431 20.06909398 # c3
86 13 1 0.1 1.523830099 5.653412325 19.68108631 # h
87 13 1 0.1 1.582072865 3.804987546 19.46769842 # h
88 13 1 0.1 1.715135947 4.550292081 21.16840873 # h
89 14 3 -0.2 3.909184007 5.330297111 18.54062966 # c2
90 14 4 -0.1 3.657230603 4.332654015 17.38440355 # c1
91 14 1 0.1 5.014869099 5.607468762 18.55600207 # h
92 14 1 0.1 3.293345331 6.274180855 18.36908911 # h
93 14 1 0.1 4.368241144 3.448684864 17.49693136 # h
94 14 2 -0.3 2.206178415 3.820943114 17.4670766 # c3
95 14 1 0.1 2.134769084 3.007752474 18.26282886 # h
96 14 1 0.1 1.514028781 4.683903727 17.74244513 # h
97 14 1 0.1 1.896178785 3.392584718 16.45712152 # h
98 15 3 -0.2 3.917265191 5.015667876 16.02111634 # c2
99 15 4 -0.1 3.998641193 4.011145924 14.84639277 # c1
100 15 1 0.1 4.897666089 5.594431726 16.07982273 # h
101 15 1 0.1 3.065978306 5.75055145 15.83441674 # h
102 15 1 0.1 4.939006898 3.37662508 14.95906748 # h
103 15 2 -0.3 2.760859465 3.093975945 14.87373844 # c3
104 15 1 0.1 2.662084061 2.619668344 15.90566658 # h
105 15 1 0.1 1.827667315 3.708240197 14.64695263 # h
106 15 1 0.1 2.877020838 2.275426513 14.08882869 # h
107 16 3 -0.2 4.06509161 4.787949398 13.51158561 # c2
108 16 4 -0.1 4.428846555 3.907042471 12.29349338 # c1
109 16 1 0.1 4.841671056 5.616852335 13.60876709 # h
110 16 1 0.1 3.04201142 5.262567892 13.34532028 # h
111 16 1 0.1 5.511397683 3.561806949 12.38566409 # h
112 16 2 -0.3 3.501673838 2.677238778 12.24676857 # c3
113 16 1 0.1 3.2392294 2.35861356 13.3094072 # h
114 16 1 0.1 2.547051155 2.942260871 11.68280158 # h
115 16 1 0.1 4.032775676 1.820976458 11.71352787 # h
116 17 3 -0.2 4.268236873 4.756236501 11.01253397 # c2
117 17 4 -0.1 4.822793954 4.097846382 9.727640848 # c1
118 17 1 0.1 4.799567351 5.75272644 11.16840468 # h
119 17 1 0.1 3.152821337 4.955189726 10.88657464 # h
120 17 1 0.1 5.95919602 4.03513285 9.79288894 # h
121 17 2 -0.3 4.239409952 2.682361439 9.556874357 # c3
122 17 1 0.1 3.876717484 2.296493948 10.56640911 # h
123 17 1 0.1 3.364512708 2.717458517 8.826858623 # h
124 17 1 0.1 5.045280177 1.98563627 9.150983757 # h
125 18 3 -0.2 4.424265105 4.999074268 8.537669901 # c2
126 18 4 -0.1 5.068395473 4.633164998 7.180382216 # c1
127 18 1 0.1 4.703773749 6.074879266 8.790886189 # h
128 18 1 0.1 3.289585307 4.932597257 8.450019907 # h
129 18 1 0.1 6.193739085 4.807006716 7.234978638 # h
130 18 2 -0.3 4.793608777 3.161714224 6.817998936 # c3
131 18 1 0.1 4.421322547 2.606134436 7.741218311 # h
132 18 1 0.1 4.000964446 3.113434166 6.000084544 # h
133 18 1 0.1 5.755142768 2.676410054 6.44445884 # h
134 19 3 -0.2 4.450786508 5.587001815 6.135100715 # c2
135 19 4 -0.1 5.086937669 5.547465361 4.727622475 # c1
136 19 1 0.1 4.525125192 6.652690065 6.533073429 # h
137 19 1 0.1 3.348126459 5.307077131 6.061732178 # h
138 19 1 0.1 6.173871005 5.883244407 4.801299574 # h
139 19 2 -0.3 5.036472139 4.145151571 4.094734616 # c3
140 19 1 0.1 4.704141636 3.386465063 4.878029685 # h
141 19 1 0.1 4.295845856 4.145803972 3.228090375 # h
142 19 1 0.1 6.072055233 3.864666978 3.709382816 # h
143 20 3 -0.2 4.299060334 6.573485034 3.885695467 # c2
144 20 3 -0.2 4.808565021 6.776687581 2.442598716 # c2
145 20 1 0.1 4.326966297 7.578528105 4.423012543 # h
146 20 1 0.1 3.21948525 6.208193439 3.859625457 # h
147 20 1 0.1 4.264659561 7.666943851 1.983022177 # h
148 20 2 -0.3 4.598215355 5.545705216 1.538867641 # c3
149 20 1 0.1 4.238247086 4.667620513 2.170524238 # h
150 20 1 0.1 3.817772397 5.7869816 0.743698185 # h
151 20 1 0.1 5.583066993 5.272167912 1.034046331 # h
152 20 1 0.1 5.926422731 6.999428055 2.462112271 # h
Bonds
1 1 1 2
2 2 2 3
3 1 4 2
4 1 5 2
5 3 6 3
6 3 7 3
7 4 3 8
8 4 8 9
9 3 10 8
10 3 11 8
11 3 12 9
12 3 13 9
13 4 9 14
14 4 14 15
15 3 16 14
16 3 17 14
17 3 18 15
18 3 19 15
19 4 15 20
20 4 20 21
21 3 22 20
22 3 23 20
23 3 24 21
24 3 25 21
25 4 21 26
26 4 26 27
27 3 28 26
28 3 29 26
29 3 30 27
30 3 31 27
31 4 27 32
32 4 32 33
33 3 34 32
34 3 35 32
35 3 36 33
36 3 37 33
37 4 33 38
38 4 38 39
39 3 40 38
40 3 41 38
41 3 42 39
42 3 43 39
43 4 39 44
44 4 44 45
45 3 46 44
46 3 47 44
47 3 48 45
48 3 49 45
49 4 45 50
50 4 50 51
51 3 52 50
52 3 53 50
53 3 54 51
54 3 55 51
55 4 51 56
56 4 56 57
57 3 58 56
58 3 59 56
59 3 60 57
60 3 61 57
61 4 57 62
62 5 62 63
63 3 64 62
64 3 65 62
65 6 66 63
66 7 67 63
67 5 71 63
68 1 70 67
69 1 68 67
70 1 69 67
71 5 71 72
72 3 73 71
73 3 74 71
74 6 75 72
75 7 76 72
76 5 80 72
77 1 79 76
78 1 77 76
79 1 78 76
80 5 80 81
81 3 82 80
82 3 83 80
83 6 84 81
84 7 85 81
85 5 89 81
86 1 88 85
87 1 86 85
88 1 87 85
89 5 89 90
90 3 91 89
91 3 92 89
92 6 93 90
93 7 94 90
94 5 98 90
95 1 97 94
96 1 95 94
97 1 96 94
98 5 98 99
99 3 100 98
100 3 101 98
101 6 102 99
102 7 103 99
103 5 107 99
104 1 106 103
105 1 104 103
106 1 105 103
107 5 107 108
108 3 109 107
109 3 110 107
110 6 111 108
111 7 112 108
112 5 116 108
113 1 115 112
114 1 113 112
115 1 114 112
116 5 116 117
117 3 118 116
118 3 119 116
119 6 120 117
120 7 121 117
121 5 125 117
122 1 124 121
123 1 122 121
124 1 123 121
125 5 125 126
126 3 127 125
127 3 128 125
128 6 129 126
129 7 130 126
130 5 134 126
131 1 133 130
132 1 131 130
133 1 132 130
134 5 134 135
135 3 136 134
136 3 137 134
137 6 138 135
138 7 139 135
139 5 143 135
140 1 142 139
141 1 140 139
142 1 141 139
143 4 143 144
144 3 145 143
145 3 146 143
146 3 147 144
147 2 148 144
148 3 152 144
149 1 151 148
150 1 149 148
151 1 150 148
Angles
1 1 1 2 3
2 2 1 2 4
3 2 1 2 5
4 1 4 2 3
5 1 5 2 3
6 2 4 2 5
7 3 6 3 2
8 3 7 3 2
9 4 2 3 8
10 5 6 3 7
11 6 6 3 8
12 6 7 3 8
13 6 10 8 9
14 6 11 8 9
15 7 9 8 3
16 5 10 8 11
17 6 10 8 3
18 6 11 8 3
19 6 12 9 8
20 6 13 9 8
21 7 8 9 14
22 5 12 9 13
23 6 12 9 14
24 6 13 9 14
25 6 16 14 15
26 6 17 14 15
27 7 15 14 9
28 5 16 14 17
29 6 16 14 9
30 6 17 14 9
31 6 18 15 14
32 6 19 15 14
33 7 14 15 20
34 5 18 15 19
35 6 18 15 20
36 6 19 15 20
37 6 22 20 21
38 6 23 20 21
39 7 21 20 15
40 5 22 20 23
41 6 22 20 15
42 6 23 20 15
43 6 24 21 20
44 6 25 21 20
45 7 20 21 26
46 5 24 21 25
47 6 24 21 26
48 6 25 21 26
49 6 28 26 27
50 6 29 26 27
51 7 27 26 21
52 5 28 26 29
53 6 28 26 21
54 6 29 26 21
55 6 30 27 26
56 6 31 27 26
57 7 26 27 32
58 5 30 27 31
59 6 30 27 32
60 6 31 27 32
61 6 34 32 33
62 6 35 32 33
63 7 33 32 27
64 5 34 32 35
65 6 34 32 27
66 6 35 32 27
67 6 36 33 32
68 6 37 33 32
69 7 32 33 38
70 5 36 33 37
71 6 36 33 38
72 6 37 33 38
73 6 40 38 39
74 6 41 38 39
75 7 39 38 33
76 5 40 38 41
77 6 40 38 33
78 6 41 38 33
79 6 42 39 38
80 6 43 39 38
81 7 38 39 44
82 5 42 39 43
83 6 42 39 44
84 6 43 39 44
85 6 46 44 45
86 6 47 44 45
87 7 45 44 39
88 5 46 44 47
89 6 46 44 39
90 6 47 44 39
91 6 48 45 44
92 6 49 45 44
93 7 44 45 50
94 5 48 45 49
95 6 48 45 50
96 6 49 45 50
97 6 52 50 51
98 6 53 50 51
99 7 51 50 45
100 5 52 50 53
101 6 52 50 45
102 6 53 50 45
103 6 54 51 50
104 6 55 51 50
105 7 50 51 56
106 5 54 51 55
107 6 54 51 56
108 6 55 51 56
109 6 58 56 57
110 6 59 56 57
111 7 57 56 51
112 5 58 56 59
113 6 58 56 51
114 6 59 56 51
115 6 60 57 56
116 6 61 57 56
117 7 56 57 62
118 5 60 57 61
119 6 60 57 62
120 6 61 57 62
121 8 64 62 63
122 8 65 62 63
123 9 57 62 63
124 5 64 62 65
125 6 64 62 57
126 6 65 62 57
127 10 66 63 62
128 11 67 63 62
129 12 62 63 71
130 13 66 63 67
131 10 66 63 71
132 11 67 63 71
133 14 70 67 63
134 2 70 67 68
135 2 70 67 69
136 14 68 67 63
137 14 69 67 63
138 2 68 67 69
139 8 73 71 72
140 8 74 71 72
141 15 72 71 63
142 5 73 71 74
143 8 73 71 63
144 8 74 71 63
145 10 75 72 71
146 11 76 72 71
147 12 71 72 80
148 13 75 72 76
149 10 75 72 80
150 11 76 72 80
151 14 79 76 72
152 2 79 76 77
153 2 79 76 78
154 14 77 76 72
155 14 78 76 72
156 2 77 76 78
157 8 82 80 81
158 8 83 80 81
159 15 81 80 72
160 5 82 80 83
161 8 82 80 72
162 8 83 80 72
163 10 84 81 80
164 11 85 81 80
165 12 80 81 89
166 13 84 81 85
167 10 84 81 89
168 11 85 81 89
169 14 88 85 81
170 2 88 85 86
171 2 88 85 87
172 14 86 85 81
173 14 87 85 81
174 2 86 85 87
175 8 91 89 90
176 8 92 89 90
177 15 90 89 81
178 5 91 89 92
179 8 91 89 81
180 8 92 89 81
181 10 93 90 89
182 11 94 90 89
183 12 89 90 98
184 13 93 90 94
185 10 93 90 98
186 11 94 90 98
187 14 97 94 90
188 2 97 94 95
189 2 97 94 96
190 14 95 94 90
191 14 96 94 90
192 2 95 94 96
193 8 100 98 99
194 8 101 98 99
195 15 99 98 90
196 5 100 98 101
197 8 100 98 90
198 8 101 98 90
199 10 102 99 98
200 11 103 99 98
201 12 98 99 107
202 13 102 99 103
203 10 102 99 107
204 11 103 99 107
205 14 106 103 99
206 2 106 103 104
207 2 106 103 105
208 14 104 103 99
209 14 105 103 99
210 2 104 103 105
211 8 109 107 108
212 8 110 107 108
213 15 108 107 99
214 5 109 107 110
215 8 109 107 99
216 8 110 107 99
217 10 111 108 107
218 11 112 108 107
219 12 107 108 116
220 13 111 108 112
221 10 111 108 116
222 11 112 108 116
223 14 115 112 108
224 2 115 112 113
225 2 115 112 114
226 14 113 112 108
227 14 114 112 108
228 2 113 112 114
229 8 118 116 117
230 8 119 116 117
231 15 117 116 108
232 5 118 116 119
233 8 118 116 108
234 8 119 116 108
235 10 120 117 116
236 11 121 117 116
237 12 116 117 125
238 13 120 117 121
239 10 120 117 125
240 11 121 117 125
241 14 124 121 117
242 2 124 121 122
243 2 124 121 123
244 14 122 121 117
245 14 123 121 117
246 2 122 121 123
247 8 127 125 126
248 8 128 125 126
249 15 126 125 117
250 5 127 125 128
251 8 127 125 117
252 8 128 125 117
253 10 129 126 125
254 11 130 126 125
255 12 125 126 134
256 13 129 126 130
257 10 129 126 134
258 11 130 126 134
259 14 133 130 126
260 2 133 130 131
261 2 133 130 132
262 14 131 130 126
263 14 132 130 126
264 2 131 130 132
265 8 136 134 135
266 8 137 134 135
267 15 135 134 126
268 5 136 134 137
269 8 136 134 126
270 8 137 134 126
271 10 138 135 134
272 11 139 135 134
273 12 134 135 143
274 13 138 135 139
275 10 138 135 143
276 11 139 135 143
277 14 142 139 135
278 2 142 139 140
279 2 142 139 141
280 14 140 139 135
281 14 141 139 135
282 2 140 139 141
283 6 145 143 144
284 6 146 143 144
285 9 144 143 135
286 5 145 143 146
287 8 145 143 135
288 8 146 143 135
289 6 147 144 143
290 4 148 144 143
291 6 152 144 143
292 3 147 144 148
293 5 147 144 152
294 3 152 144 148
295 1 151 148 144
296 2 151 148 149
297 2 151 148 150
298 1 149 148 144
299 1 150 148 144
300 2 149 148 150
Dihedrals
1 1 1 2 3 6
2 1 1 2 3 7
3 2 1 2 3 8
4 1 4 2 3 6
5 1 4 2 3 7
6 2 4 2 3 8
7 1 5 2 3 6
8 1 5 2 3 7
9 2 5 2 3 8
10 3 2 3 8 9
11 4 10 8 3 2
12 4 11 8 3 2
13 5 6 3 8 9
14 6 6 3 8 10
15 6 6 3 8 11
16 5 7 3 8 9
17 6 7 3 8 10
18 6 7 3 8 11
19 6 10 8 9 12
20 6 10 8 9 13
21 5 10 8 9 14
22 6 11 8 9 12
23 6 11 8 9 13
24 5 11 8 9 14
25 5 12 9 8 3
26 5 13 9 8 3
27 7 3 8 9 14
28 7 8 9 14 15
29 5 16 14 9 8
30 5 17 14 9 8
31 5 12 9 14 15
32 6 12 9 14 16
33 6 12 9 14 17
34 5 13 9 14 15
35 6 13 9 14 16
36 6 13 9 14 17
37 6 16 14 15 18
38 6 16 14 15 19
39 5 16 14 15 20
40 6 17 14 15 18
41 6 17 14 15 19
42 5 17 14 15 20
43 5 18 15 14 9
44 5 19 15 14 9
45 7 9 14 15 20
46 7 14 15 20 21
47 5 22 20 15 14
48 5 23 20 15 14
49 5 18 15 20 21
50 6 18 15 20 22
51 6 18 15 20 23
52 5 19 15 20 21
53 6 19 15 20 22
54 6 19 15 20 23
55 6 22 20 21 24
56 6 22 20 21 25
57 5 22 20 21 26
58 6 23 20 21 24
59 6 23 20 21 25
60 5 23 20 21 26
61 5 24 21 20 15
62 5 25 21 20 15
63 7 15 20 21 26
64 7 20 21 26 27
65 5 28 26 21 20
66 5 29 26 21 20
67 5 24 21 26 27
68 6 24 21 26 28
69 6 24 21 26 29
70 5 25 21 26 27
71 6 25 21 26 28
72 6 25 21 26 29
73 6 28 26 27 30
74 6 28 26 27 31
75 5 28 26 27 32
76 6 29 26 27 30
77 6 29 26 27 31
78 5 29 26 27 32
79 5 30 27 26 21
80 5 31 27 26 21
81 7 21 26 27 32
82 7 26 27 32 33
83 5 34 32 27 26
84 5 35 32 27 26
85 5 30 27 32 33
86 6 30 27 32 34
87 6 30 27 32 35
88 5 31 27 32 33
89 6 31 27 32 34
90 6 31 27 32 35
91 6 34 32 33 36
92 6 34 32 33 37
93 5 34 32 33 38
94 6 35 32 33 36
95 6 35 32 33 37
96 5 35 32 33 38
97 5 36 33 32 27
98 5 37 33 32 27
99 7 27 32 33 38
100 7 32 33 38 39
101 5 40 38 33 32
102 5 41 38 33 32
103 5 36 33 38 39
104 6 36 33 38 40
105 6 36 33 38 41
106 5 37 33 38 39
107 6 37 33 38 40
108 6 37 33 38 41
109 6 40 38 39 42
110 6 40 38 39 43
111 5 40 38 39 44
112 6 41 38 39 42
113 6 41 38 39 43
114 5 41 38 39 44
115 5 42 39 38 33
116 5 43 39 38 33
117 7 33 38 39 44
118 7 38 39 44 45
119 5 46 44 39 38
120 5 47 44 39 38
121 5 42 39 44 45
122 6 42 39 44 46
123 6 42 39 44 47
124 5 43 39 44 45
125 6 43 39 44 46
126 6 43 39 44 47
127 6 46 44 45 48
128 6 46 44 45 49
129 5 46 44 45 50
130 6 47 44 45 48
131 6 47 44 45 49
132 5 47 44 45 50
133 5 48 45 44 39
134 5 49 45 44 39
135 7 39 44 45 50
136 7 44 45 50 51
137 5 52 50 45 44
138 5 53 50 45 44
139 5 48 45 50 51
140 6 48 45 50 52
141 6 48 45 50 53
142 5 49 45 50 51
143 6 49 45 50 52
144 6 49 45 50 53
145 6 52 50 51 54
146 6 52 50 51 55
147 5 52 50 51 56
148 6 53 50 51 54
149 6 53 50 51 55
150 5 53 50 51 56
151 5 54 51 50 45
152 5 55 51 50 45
153 7 45 50 51 56
154 7 50 51 56 57
155 5 58 56 51 50
156 5 59 56 51 50
157 5 54 51 56 57
158 6 54 51 56 58
159 6 54 51 56 59
160 5 55 51 56 57
161 6 55 51 56 58
162 6 55 51 56 59
163 6 58 56 57 60
164 6 58 56 57 61
165 5 58 56 57 62
166 6 59 56 57 60
167 6 59 56 57 61
168 5 59 56 57 62
169 5 60 57 56 51
170 5 61 57 56 51
171 7 51 56 57 62
172 8 56 57 62 63
173 5 64 62 57 56
174 5 65 62 57 56
175 9 60 57 62 63
176 6 60 57 62 64
177 6 60 57 62 65
178 9 61 57 62 63
179 6 61 57 62 64
180 6 61 57 62 65
181 10 64 62 63 66
182 11 64 62 63 67
183 12 64 62 63 71
184 10 65 62 63 66
185 11 65 62 63 67
186 12 65 62 63 71
187 13 57 62 63 66
188 14 57 62 63 67
189 15 57 62 63 71
190 16 70 67 63 62
191 16 68 67 63 62
192 16 69 67 63 62
193 17 70 67 63 66
194 17 68 67 63 66
195 17 69 67 63 66
196 16 70 67 63 71
197 16 68 67 63 71
198 16 69 67 63 71
199 18 72 71 63 62
200 12 73 71 63 62
201 12 74 71 63 62
202 19 72 71 63 66
203 10 73 71 63 66
204 10 74 71 63 66
205 20 72 71 63 67
206 11 73 71 63 67
207 11 74 71 63 67
208 10 73 71 72 75
209 11 73 71 72 76
210 12 73 71 72 80
211 10 74 71 72 75
212 11 74 71 72 76
213 12 74 71 72 80
214 19 63 71 72 75
215 20 63 71 72 76
216 18 63 71 72 80
217 16 79 76 72 71
218 16 77 76 72 71
219 16 78 76 72 71
220 17 79 76 72 75
221 17 77 76 72 75
222 17 78 76 72 75
223 16 79 76 72 80
224 16 77 76 72 80
225 16 78 76 72 80
226 18 81 80 72 71
227 12 82 80 72 71
228 12 83 80 72 71
229 19 81 80 72 75
230 10 82 80 72 75
231 10 83 80 72 75
232 20 81 80 72 76
233 11 82 80 72 76
234 11 83 80 72 76
235 10 82 80 81 84
236 11 82 80 81 85
237 12 82 80 81 89
238 10 83 80 81 84
239 11 83 80 81 85
240 12 83 80 81 89
241 19 72 80 81 84
242 20 72 80 81 85
243 18 72 80 81 89
244 16 88 85 81 80
245 16 86 85 81 80
246 16 87 85 81 80
247 17 88 85 81 84
248 17 86 85 81 84
249 17 87 85 81 84
250 16 88 85 81 89
251 16 86 85 81 89
252 16 87 85 81 89
253 18 90 89 81 80
254 12 91 89 81 80
255 12 92 89 81 80
256 19 90 89 81 84
257 10 91 89 81 84
258 10 92 89 81 84
259 20 90 89 81 85
260 11 91 89 81 85
261 11 92 89 81 85
262 10 91 89 90 93
263 11 91 89 90 94
264 12 91 89 90 98
265 10 92 89 90 93
266 11 92 89 90 94
267 12 92 89 90 98
268 19 81 89 90 93
269 20 81 89 90 94
270 18 81 89 90 98
271 16 97 94 90 89
272 16 95 94 90 89
273 16 96 94 90 89
274 17 97 94 90 93
275 17 95 94 90 93
276 17 96 94 90 93
277 16 97 94 90 98
278 16 95 94 90 98
279 16 96 94 90 98
280 18 99 98 90 89
281 12 100 98 90 89
282 12 101 98 90 89
283 19 99 98 90 93
284 10 100 98 90 93
285 10 101 98 90 93
286 20 99 98 90 94
287 11 100 98 90 94
288 11 101 98 90 94
289 10 100 98 99 102
290 11 100 98 99 103
291 12 100 98 99 107
292 10 101 98 99 102
293 11 101 98 99 103
294 12 101 98 99 107
295 19 90 98 99 102
296 20 90 98 99 103
297 18 90 98 99 107
298 16 106 103 99 98
299 16 104 103 99 98
300 16 105 103 99 98
301 17 106 103 99 102
302 17 104 103 99 102
303 17 105 103 99 102
304 16 106 103 99 107
305 16 104 103 99 107
306 16 105 103 99 107
307 18 108 107 99 98
308 12 109 107 99 98
309 12 110 107 99 98
310 19 108 107 99 102
311 10 109 107 99 102
312 10 110 107 99 102
313 20 108 107 99 103
314 11 109 107 99 103
315 11 110 107 99 103
316 10 109 107 108 111
317 11 109 107 108 112
318 12 109 107 108 116
319 10 110 107 108 111
320 11 110 107 108 112
321 12 110 107 108 116
322 19 99 107 108 111
323 20 99 107 108 112
324 18 99 107 108 116
325 16 115 112 108 107
326 16 113 112 108 107
327 16 114 112 108 107
328 17 115 112 108 111
329 17 113 112 108 111
330 17 114 112 108 111
331 16 115 112 108 116
332 16 113 112 108 116
333 16 114 112 108 116
334 18 117 116 108 107
335 12 118 116 108 107
336 12 119 116 108 107
337 19 117 116 108 111
338 10 118 116 108 111
339 10 119 116 108 111
340 20 117 116 108 112
341 11 118 116 108 112
342 11 119 116 108 112
343 10 118 116 117 120
344 11 118 116 117 121
345 12 118 116 117 125
346 10 119 116 117 120
347 11 119 116 117 121
348 12 119 116 117 125
349 19 108 116 117 120
350 20 108 116 117 121
351 18 108 116 117 125
352 16 124 121 117 116
353 16 122 121 117 116
354 16 123 121 117 116
355 17 124 121 117 120
356 17 122 121 117 120
357 17 123 121 117 120
358 16 124 121 117 125
359 16 122 121 117 125
360 16 123 121 117 125
361 18 126 125 117 116
362 12 127 125 117 116
363 12 128 125 117 116
364 19 126 125 117 120
365 10 127 125 117 120
366 10 128 125 117 120
367 20 126 125 117 121
368 11 127 125 117 121
369 11 128 125 117 121
370 10 127 125 126 129
371 11 127 125 126 130
372 12 127 125 126 134
373 10 128 125 126 129
374 11 128 125 126 130
375 12 128 125 126 134
376 19 117 125 126 129
377 20 117 125 126 130
378 18 117 125 126 134
379 16 133 130 126 125
380 16 131 130 126 125
381 16 132 130 126 125
382 17 133 130 126 129
383 17 131 130 126 129
384 17 132 130 126 129
385 16 133 130 126 134
386 16 131 130 126 134
387 16 132 130 126 134
388 18 135 134 126 125
389 12 136 134 126 125
390 12 137 134 126 125
391 19 135 134 126 129
392 10 136 134 126 129
393 10 137 134 126 129
394 20 135 134 126 130
395 11 136 134 126 130
396 11 137 134 126 130
397 10 136 134 135 138
398 11 136 134 135 139
399 12 136 134 135 143
400 10 137 134 135 138
401 11 137 134 135 139
402 12 137 134 135 143
403 19 126 134 135 138
404 20 126 134 135 139
405 18 126 134 135 143
406 16 142 139 135 134
407 16 140 139 135 134
408 16 141 139 135 134
409 17 142 139 135 138
410 17 140 139 135 138
411 17 141 139 135 138
412 16 142 139 135 143
413 16 140 139 135 143
414 16 141 139 135 143
415 15 144 143 135 134
416 12 145 143 135 134
417 12 146 143 135 134
418 13 144 143 135 138
419 10 145 143 135 138
420 10 146 143 135 138
421 14 144 143 135 139
422 11 145 143 135 139
423 11 146 143 135 139
424 6 145 143 144 147
425 4 145 143 144 148
426 6 145 143 144 152
427 6 146 143 144 147
428 4 146 143 144 148
429 6 146 143 144 152
430 9 147 144 143 135
431 21 148 144 143 135
432 9 152 144 143 135
433 2 151 148 144 143
434 2 149 148 144 143
435 2 150 148 144 143
436 1 151 148 144 147
437 1 149 148 144 147
438 1 150 148 144 147
439 1 151 148 144 152
440 1 149 148 144 152
441 1 150 148 144 152，
Bonds defined but no bond types
The data file header lists bonds but no bond types.这是官网的解释
这个我也看到了，可是，bond types 不是写了么？无论是键的种类数还是键的参数，都在data文件里了，style也在in文件里写了，为什么会出这样的问题呢？