求助Exploring第三版中oniom计算力场参数设置方法

zhangxy815

在做oniom计算时总提示以下错误：
Generating MM parameters.
Include all MM classes
Angle bend  undefined between atoms      4      1     19 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms     47     44     62 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms     90     87    105 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    133    130    148 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    176    173    191 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    219    216    234 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    262    259    277 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    305    302    320 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    348    345    363 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    391    388    406 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    434    431    449 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    477    474    492 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    520    517    535 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    563    560    578 C_3-S_3-C_3 [H,H,H] *
Angle bend  undefined between atoms    606    603    621 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    649    646    664 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    692    689    707 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    735    732    750 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    778    775    793 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    821    818    836 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    864    861    879 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    907    904    922 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    950    947    965 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms    993    990   1008 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1036   1033   1051 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1079   1076   1094 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1122   1119   1137 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1165   1162   1180 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1208   1205   1223 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1251   1248   1266 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1294   1291   1309 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1337   1334   1352 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1380   1377   1395 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1423   1420   1438 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1466   1463   1481 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1509   1506   1524 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1552   1549   1567 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1595   1592   1610 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1638   1635   1653 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1681   1678   1696 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1724   1721   1739 C_3-S_3-C_3 [H,H,H] *
Angle bend  undefined between atoms   1767   1764   1782 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1810   1807   1825 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1853   1850   1868 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1896   1893   1911 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1939   1936   1954 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   1982   1979   1997 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   2025   2022   2040 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   2068   2065   2083 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   2111   2108   2126 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   2154   2151   2169 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   2197   2194   2212 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   2240   2237   2255 C_3-S_3-C_3 [L,L,L]  
Angle bend  undefined between atoms   2283   2280   2298 C_3-S_3-C_3 [L,L,L]  
* These undefined terms cancel in the ONIOM expression.
MM function not complete
Error termination via Lnk1e in /PARA/blsc870/cj/g09/l101.exe at Mon Sep 14 19:08:30 2020.
Job cpu time:       0 days  0 hours  2 minutes  6.9 seconds.
File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1


查阅以往帖子是需要设置力场参数，但是看了手册没看明白如何设置，想请有Exploring Chemistry with Electron Structure Methods 3rd 的大神分享一下其中oniom的参数设置方法，具体内容如下：
1）James B. Foresman and Aeleen Frisch. Exploring Chemistry with Electronic Structure Methods. Third Edition. P61-64；
2）James B. Foresman and Aeleen Frisch. Exploring Chemistry with Electronic Structure Methods. Third Edition.P401-461.
谢谢各位，感激不尽。

wangzhe

拍了61-64页

zhangxy815

wangzhe 发表于 2020-9-17 14:16
拍了61-64页

谢谢您，我学习一下，非常感谢。

Red_Star

您好，我想请教一下oniom中是怎么设置力场参数的