Force_field_params OPLSAA

intput file:
$rem
JOBTYPE = opt
METHOD = pbe0
BASIS = aug-cc-pVDZ
QM_MM_INTERFACE = oniom
SCF_MAX_CYCLES 100000
GEOM_OPT_MAX_CYCLES 100000
FORCE_FIELD = oplsaa
USER_CONNECT = true
MOLDEN_FORMAT = true
GEOM_OPT_DRIVER = OPTIMIZE
$end

$molecule
0 1
C 3.525 0.000 0.000 11 3 0 0 0
C 3.313 1.206 2.132 11 3 4 27 0
C 3.525 0.000 1.421 11 1 2 194 0
C 3.313 1.206 3.553 11 2 5 29 0
C 3.525 0.000 4.263 11 4 7 196 0
C 3.313 1.206 6.395 11 7 8 31 0
C 3.525 0.000 5.684 11 5 6 198 0
C 3.313 1.206 7.816 11 6 9 33 0
C 3.525 0.000 8.526 11 8 11 200 0
C 3.313 1.206 10.658 11 11 12 35 0
C 3.525 0.000 9.947 11 9 10 202 0
C 3.313 1.206 12.079 11 10 13 37 0
C 3.525 0.000 12.789 11 12 15 204 0
C 3.313 1.206 14.921 11 15 16 39 0
C 3.525 0.000 14.210 11 13 14 206 0
C 3.313 1.206 16.342 11 14 17 41 0
C 3.525 0.000 17.052 11 16 19 208 0
C 3.313 1.206 19.184 11 19 20 43 0
C 3.525 0.000 18.473 11 17 18 210 0
C 3.313 1.206 20.605 11 18 21 45 0
C 3.525 0.000 21.315 11 20 23 212 0
C 3.313 1.206 23.447 11 23 24 47 0
C 3.525 0.000 22.736 11 21 22 214 0
C 3.313 1.206 24.868 11 22 0 0 0
C 2.701 2.266 0.000 11 27 0 0 0
C 1.763 3.053 2.132 11 27 28 51 0
C 2.701 2.266 1.421 11 2 25 26 0
C 1.763 3.053 3.553 11 26 29 53 0
C 2.701 2.266 4.263 11 4 28 31 0
C 1.763 3.053 6.395 11 31 32 55 0
C 2.701 2.266 5.684 11 6 29 30 0
C 1.763 3.053 7.816 11 30 33 57 0
C 2.701 2.266 8.526 11 8 32 35 0
C 1.763 3.053 10.658 11 35 36 59 0
C 2.701 2.266 9.947 11 33 10 34 0
C 1.763 3.053 12.079 11 34 37 61 0
C 2.701 2.266 12.789 11 12 36 39 0
C 1.763 3.053 14.921 11 39 40 63 0
C 2.701 2.266 14.210 11 14 37 38 0
C 1.763 3.053 16.342 11 38 41 65 0
C 2.701 2.266 17.052 11 16 40 43 0
C 1.763 3.053 19.184 11 43 44 67 0
C 2.701 2.266 18.473 11 18 41 42 0
C 1.763 3.053 20.605 11 42 45 69 0
C 2.701 2.266 21.315 11 20 44 47 0
C 1.763 3.053 23.447 11 47 48 71 0
C 2.701 2.266 22.736 11 22 45 46 0
C 1.763 3.053 24.868 11 46 0 0 0
C 0.612 3.472 0.000 11 51 0 0 0
C -0.612 3.472 2.132 11 51 52 75 0
C 0.612 3.472 1.421 11 50 26 49 0
C -0.612 3.472 3.553 11 50 53 77 0
C 0.612 3.472 4.263 11 52 28 55 0
C -0.612 3.472 6.395 11 55 56 79 0
C 0.612 3.472 5.684 11 54 30 53 0
C -0.612 3.472 7.816 11 54 57 81 0
C 0.612 3.472 8.526 11 56 32 59 0
C -0.612 3.472 10.658 11 59 60 83 0
C 0.612 3.472 9.947 11 58 57 34 0
C -0.612 3.472 12.079 11 58 61 85 0
C 0.612 3.472 12.789 11 60 36 63 0
C -0.612 3.472 14.921 11 63 64 87 0
C 0.612 3.472 14.210 11 62 38 61 0
C -0.612 3.472 16.342 11 62 65 89 0
C 0.612 3.472 17.052 11 64 40 67 0
C -0.612 3.472 19.184 11 67 68 91 0
C 0.612 3.472 18.473 11 66 42 65 0
C -0.612 3.472 20.605 11 66 69 93 0
C 0.612 3.472 21.315 11 68 44 71 0
C -0.612 3.472 23.447 11 71 72 95 0
C 0.612 3.472 22.736 11 70 46 69 0
C -0.612 3.472 24.868 11 70 0 0 0
C -1.763 3.053 0.000 11 75 0 0 0
C -2.701 2.266 2.132 11 75 76 99 0
C -1.763 3.053 1.421 11 50 73 74 0
C -2.701 2.266 3.553 11 74 77 101 0
C -1.763 3.053 4.263 11 52 76 79 0
C -2.701 2.266 6.395 11 79 80 103 0
C -1.763 3.053 5.684 11 54 77 78 0
C -2.701 2.266 7.816 11 78 81 105 0
C -1.763 3.053 8.526 11 56 80 83 0
C -2.701 2.266 10.658 11 83 84 107 0
C -1.763 3.053 9.947 11 81 58 82 0
C -2.701 2.266 12.079 11 82 85 109 0
C -1.763 3.053 12.789 11 60 84 87 0
C -2.701 2.266 14.921 11 87 88 111 0
C -1.763 3.053 14.210 11 62 85 86 0
C -2.701 2.266 16.342 11 86 89 113 0
C -1.763 3.053 17.052 11 64 88 91 0
C -2.701 2.266 19.184 11 91 92 115 0
C -1.763 3.053 18.473 11 66 89 90 0
C -2.701 2.266 20.605 11 90 93 117 0
C -1.763 3.053 21.315 11 68 92 95 0
C -2.701 2.266 23.447 11 95 96 119 0
C -1.763 3.053 22.736 11 70 93 94 0
C -2.701 2.266 24.868 11 94 0 0 0
C -3.313 1.206 0.000 11 99 0 0 0
C -3.525 0.000 2.132 11 99 100 123 0
C -3.313 1.206 1.421 11 74 97 98 0
C -3.525 0.000 3.553 11 98 101 125 0
C -3.313 1.206 4.263 11 76 100 103 0
C -3.525 0.000 6.395 11 103 104 127 0
C -3.313 1.206 5.684 11 78 101 102 0
C -3.525 0.000 7.816 11 102 105 129 0
C -3.313 1.206 8.526 11 80 104 107 0
C -3.525 0.000 10.658 11 107 108 131 0
C -3.313 1.206 9.947 11 105 82 106 0
C -3.525 0.000 12.079 11 106 109 133 0
C -3.313 1.206 12.789 11 84 108 111 0
C -3.525 0.000 14.921 11 111 112 135 0
C -3.313 1.206 14.210 11 86 109 110 0
C -3.525 0.000 16.342 11 110 113 137 0
C -3.313 1.206 17.052 11 88 112 115 0
C -3.525 0.000 19.184 11 115 116 139 0
C -3.313 1.206 18.473 11 90 113 114 0
C -3.525 0.000 20.605 11 114 117 141 0
C -3.313 1.206 21.315 11 92 116 119 0
C -3.525 0.000 23.447 11 119 120 143 0
C -3.313 1.206 22.736 11 94 117 118 0
C -3.525 0.000 24.868 11 118 0 0 0
C -3.313 -1.206 0.000 11 123 0 0 0
C -2.701 -2.266 2.132 11 123 124 147 0
C -3.313 -1.206 1.421 11 121 122 98 0
C -2.701 -2.266 3.553 11 122 125 149 0
C -3.313 -1.206 4.263 11 124 100 127 0
C -2.701 -2.266 6.395 11 127 128 151 0
C -3.313 -1.206 5.684 11 125 126 102 0
C -2.701 -2.266 7.816 11 126 129 153 0
C -3.313 -1.206 8.526 11 128 104 131 0
C -2.701 -2.266 10.658 11 131 132 155 0
C -3.313 -1.206 9.947 11 129 130 106 0
C -2.701 -2.266 12.079 11 130 133 157 0
C -3.313 -1.206 12.789 11 132 108 135 0
C -2.701 -2.266 14.921 11 135 136 159 0
C -3.313 -1.206 14.210 11 133 134 110 0
C -2.701 -2.266 16.342 11 134 137 161 0
C -3.313 -1.206 17.052 11 136 112 139 0
C -2.701 -2.266 19.184 11 139 140 163 0
C -3.313 -1.206 18.473 11 137 138 114 0
C -2.701 -2.266 20.605 11 138 141 165 0
C -3.313 -1.206 21.315 11 140 116 143 0
C -2.701 -2.266 23.447 11 143 144 167 0
C -3.313 -1.206 22.736 11 141 142 118 0
C -2.701 -2.266 24.868 11 142 0 0 0
C -1.763 -3.053 0.000 11 147 0 0 0
C -0.612 -3.472 2.132 11 147 148 171 0
C -1.763 -3.053 1.421 11 122 145 146 0
C -0.612 -3.472 3.553 11 146 149 173 0
C -1.763 -3.053 4.263 11 124 148 151 0
C -0.612 -3.472 6.395 11 151 152 175 0
C -1.763 -3.053 5.684 11 126 149 150 0
C -0.612 -3.472 7.816 11 150 153 177 0
C -1.763 -3.053 8.526 11 128 152 155 0
C -0.612 -3.472 10.658 11 155 156 179 0
C -1.763 -3.053 9.947 11 153 130 154 0
C -0.612 -3.472 12.079 11 154 157 181 0
C -1.763 -3.053 12.789 11 132 156 159 0
C -0.612 -3.472 14.921 11 159 160 183 0
C -1.763 -3.053 14.210 11 134 157 158 0
C -0.612 -3.472 16.342 11 158 161 185 0
C -1.763 -3.053 17.052 11 136 160 163 0
C -0.612 -3.472 19.184 11 163 164 187 0
C -1.763 -3.053 18.473 11 138 161 162 0
C -0.612 -3.472 20.605 11 162 165 189 0
C -1.763 -3.053 21.315 11 140 164 167 0
C -0.612 -3.472 23.447 11 167 168 191 0
C -1.763 -3.053 22.736 11 142 165 166 0
C -0.612 -3.472 24.868 11 166 0 0 0
C 0.612 -3.472 0.000 11 171 0 0 0
C 1.763 -3.053 2.132 11 171 172 195 0
C 0.612 -3.472 1.421 11 146 169 170 0
C 1.763 -3.053 3.553 11 170 173 197 0
C 0.612 -3.472 4.263 11 148 172 175 0
C 1.763 -3.053 6.395 11 175 176 199 0
C 0.612 -3.472 5.684 11 150 173 174 0
C 1.763 -3.053 7.816 11 174 177 201 0
C 0.612 -3.472 8.526 11 152 176 179 0
C 1.763 -3.053 10.658 11 179 180 203 0
C 0.612 -3.472 9.947 11 154 177 178 0
C 1.763 -3.053 12.079 11 178 181 205 0
C 0.612 -3.472 12.789 11 156 180 183 0
C 1.763 -3.053 14.921 11 183 184 207 0
C 0.612 -3.472 14.210 11 158 181 182 0
C 1.763 -3.053 16.342 11 182 185 209 0
C 0.612 -3.472 17.052 11 160 184 187 0
C 1.763 -3.053 19.184 11 187 188 211 0
C 0.612 -3.472 18.473 11 162 185 186 0
C 1.763 -3.053 20.605 11 186 189 213 0
C 0.612 -3.472 21.315 11 164 188 191 0
C 1.763 -3.053 23.447 11 191 192 215 0
C 0.612 -3.472 22.736 11 166 189 190 0
C 1.763 -3.053 24.868 11 190 0 0 0
C 2.701 -2.266 0.000 11 195 0 0 0
C 3.313 -1.206 2.132 11 3 195 196 0
C 2.701 -2.266 1.421 11 170 193 194 0
C 3.313 -1.206 3.553 11 194 5 197 0
C 2.701 -2.266 4.263 11 172 196 199 0
C 3.313 -1.206 6.395 11 7 199 200 0
C 2.701 -2.266 5.684 11 174 197 198 0
C 3.313 -1.206 7.816 11 198 9 201 0
C 2.701 -2.266 8.526 11 176 200 203 0
C 3.313 -1.206 10.658 11 11 203 204 0
C 2.701 -2.266 9.947 11 201 178 202 0
C 3.313 -1.206 12.079 11 202 13 205 0
C 2.701 -2.266 12.789 11 180 204 207 0
C 3.313 -1.206 14.921 11 15 207 208 0
C 2.701 -2.266 14.210 11 182 205 206 0
C 3.313 -1.206 16.342 11 206 17 209 0
C 2.701 -2.266 17.052 11 184 208 211 0
C 3.313 -1.206 19.184 11 19 211 212 0
C 2.701 -2.266 18.473 11 186 209 210 0
C 3.313 -1.206 20.605 11 210 21 213 0
C 2.701 -2.266 21.315 11 188 212 215 0
C 3.313 -1.206 23.447 11 23 215 216 0
C 2.701 -2.266 22.736 11 190 213 214 0
C 3.313 -1.206 24.868 11 214 0 0 0
O 0.002 0.080 10.397 188 218 219 0 0
H 0.442 -0.624 9.908 189 217 0 0 0
H -0.550 0.506 9.731 189 217 0 0 0
O -0.159 -0.163 13.219 188 221 222 0 0
H 0.532 0.461 13.471 189 220 0 0 0
H -0.212 -0.084 12.252 189 220 0 0 0
$end

$opt
FIXED
1 XYZ
2 XYZ
3 XYZ
4 XYZ
5 XYZ
6 XYZ
7 XYZ
8 XYZ
9 XYZ
10 XYZ
11 XYZ
12 XYZ
13 XYZ
14 XYZ
15 XYZ
16 XYZ
17 XYZ
18 XYZ
19 XYZ
20 XYZ
21 XYZ
22 XYZ
23 XYZ
24 XYZ
25 XYZ
26 XYZ
27 XYZ
28 XYZ
29 XYZ
30 XYZ
31 XYZ
32 XYZ
33 XYZ
34 XYZ
35 XYZ
36 XYZ
37 XYZ
38 XYZ
39 XYZ
40 XYZ
41 XYZ
42 XYZ
43 XYZ
44 XYZ
45 XYZ
46 XYZ
47 XYZ
48 XYZ
49 XYZ
50 XYZ
51 XYZ
52 XYZ
53 XYZ
54 XYZ
55 XYZ
56 XYZ
57 XYZ
58 XYZ
59 XYZ
60 XYZ
61 XYZ
62 XYZ
63 XYZ
64 XYZ
65 XYZ
66 XYZ
67 XYZ
68 XYZ
69 XYZ
70 XYZ
71 XYZ
72 XYZ
73 XYZ
74 XYZ
75 XYZ
76 XYZ
77 XYZ
78 XYZ
79 XYZ
80 XYZ
81 XYZ
82 XYZ
83 XYZ
84 XYZ
85 XYZ
86 XYZ
87 XYZ
88 XYZ
89 XYZ
90 XYZ
91 XYZ
92 XYZ
93 XYZ
94 XYZ
95 XYZ
96 XYZ
97 XYZ
98 XYZ
99 XYZ
100 XYZ
101 XYZ
102 XYZ
103 XYZ
104 XYZ
105 XYZ
106 XYZ
107 XYZ
108 XYZ
109 XYZ
110 XYZ
111 XYZ
112 XYZ
113 XYZ
114 XYZ
115 XYZ
116 XYZ
117 XYZ
118 XYZ
119 XYZ
120 XYZ
121 XYZ
122 XYZ
123 XYZ
124 XYZ
125 XYZ
126 XYZ
127 XYZ
128 XYZ
129 XYZ
130 XYZ
131 XYZ
132 XYZ
133 XYZ
134 XYZ
135 XYZ
136 XYZ
137 XYZ
138 XYZ
139 XYZ
140 XYZ
141 XYZ
142 XYZ
143 XYZ
144 XYZ
145 XYZ
146 XYZ
147 XYZ
148 XYZ
149 XYZ
150 XYZ
151 XYZ
152 XYZ
153 XYZ
154 XYZ
155 XYZ
156 XYZ
157 XYZ
158 XYZ
159 XYZ
160 XYZ
161 XYZ
162 XYZ
163 XYZ
164 XYZ
165 XYZ
166 XYZ
167 XYZ
168 XYZ
169 XYZ
170 XYZ
171 XYZ
172 XYZ
173 XYZ
174 XYZ
175 XYZ
176 XYZ
177 XYZ
178 XYZ
179 XYZ
180 XYZ
181 XYZ
182 XYZ
183 XYZ
184 XYZ
185 XYZ
186 XYZ
187 XYZ
188 XYZ
189 XYZ
190 XYZ
191 XYZ
192 XYZ
193 XYZ
194 XYZ
195 XYZ
196 XYZ
197 XYZ
198 XYZ
199 XYZ
200 XYZ
201 XYZ
202 XYZ
203 XYZ
204 XYZ
205 XYZ
206 XYZ
207 XYZ
208 XYZ
209 XYZ
210 XYZ
211 XYZ
212 XYZ
213 XYZ
214 XYZ
215 XYZ
216 XYZ
ENDFIXED
$end

$qm_atoms
217:222
$end
output file:
Nuclear Repulsion Energy = 0.00000000 hartrees
There are 658 alpha and 658 beta electrons
**** Step 1: MM calculation on the entire system ****
OPLSAA force field loaded.
Determining angles, torsions, etc. from user defined input
I would like to ask how to set the parameters, vdw and force constant and other parameters for such a complex system? I didn’t understand the manual, thank you!

You need to set them for all atom types that are contained in your $molecule but not loaded by the force field, using the $force_field_params section as speciified here: Q-Chem 4.3 User’s Manual : Stand-Alone QM/MM calculations

I have read the introduction, but there are many atoms that needs to specify. I don’t konw to define how many bond length and angle, or other parameters.In other words, are there any simple ways to determine them?

No. While there are some computational tools for automated force-field parameter generation, they are not part of Q-Chem. I suggest if possible that you try to use an existing force field such as OPLS, CHARMM, AMBER, etc., which can be put into a format that is readable by Q-Chem.

Thank you for your help. However, there are still the problem when we use OPLSAA. The partitial output file as follows:
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-5-5-5
imptor test 0: 5-6-5-6
imptor test 0: 5-6-5-6
imptor test 0: 6-5-5-6
imptor test 0: 6-6-5-5
imptor test 0: 6-5-5-6
imptor test 0: 6-6-5-5
Determining VDW/Coulomb pairs… (useList = 0)

Time req’d to get MM system information: 0.0 s (CPU) 0.0 s (wall)
Unknown angle bending parameter for 6-5-6
Unknown angle bending parameter for 6-5-6
Unknown angle bending parameter for 6-5-6
Unknown angle bending parameter for 6-5-6
I don’t konw how to determine them.

In addition, I don’t determine whether is beacause of too large MM systems.

If the force field doesn’t recognize the parameters for the atom types that you have specified, then you need to pick a different force field, or else specify those parameters yourself.