| 查看: 1042 | 回复: 0 | ||
mengyan142木虫 (小有名气)
|
[求助]
ONIOM MM function not complete
|
|
ONIOM 一直提示MM function not complete 输出文件如下: Include all MM classes Bondstretch undefined between atoms 2536 2538 HC-H1 [L,H] Bondstretch undefined between atoms 2543 2551 HC-C [L,H] Bondstretch undefined between atoms 2548 2550 C-H1 [H,L] Bondstretch undefined between atoms 2551 2552 C-H1 [H,L] Bondstretch undefined between atoms 2551 2553 C-H1 [H,L] Bondstretch undefined between atoms 2553 2555 H1-H1 [L,L] Bondstretch undefined between atoms 2555 2562 H1-C [L,H] Bondstretch undefined between atoms 2562 2564 C-H1 [H,L] Bondstretch undefined between atoms 2717 2719 H-CT [L,H] Angle bend undefined between atoms 2543 2551 2552 HC-C-H1 [L,H,L] Angle bend undefined between atoms 2543 2551 2553 HC-C-H1 [L,H,L] Angle bend undefined between atoms 2545 2543 2551 CT-HC-C [H,L,H] Angle bend undefined between atoms 2545 2548 2550 CT-C-H1 [H,H,L] Angle bend undefined between atoms 2549 2548 2550 O2-C-H1 [H,H,L] Angle bend undefined between atoms 2551 2553 2555 C-H1-H1 [H,L,L] Angle bend undefined between atoms 2552 2551 2553 H1-C-H1 [L,H,L] Angle bend undefined between atoms 2553 2555 2557 H1-H1-CT [L,L,H] Angle bend undefined between atoms 2553 2555 2562 H1-H1-C [L,L,H] Angle bend undefined between atoms 2555 2562 2563 H1-C-O [L,H,H] Angle bend undefined between atoms 2555 2562 2564 H1-C-H1 [L,H,L] Angle bend undefined between atoms 2557 2555 2562 CT-H1-C [H,L,H] Angle bend undefined between atoms 2563 2562 2564 O-C-H1 [H,H,L] Angle bend undefined between atoms 2715 2717 2719 N-H-CT [H,L,H] Angle bend undefined between atoms 2717 2719 2720 H-CT-HC [L,H,H] Angle bend undefined between atoms 2717 2719 2721 H-CT-CT [L,H,H] Angle bend undefined between atoms 2717 2719 2725 H-CT-CT [L,H,H] MM function not complete Error termination via Lnk1e in /home/xmpu208/g09/l120.exe at Thu Dec 1 01:47:10 2011. Job cpu time: 0 days 16 hours 27 minutes 47.4 seconds. File lengths (MBytes): RWF= 357 Int= 0 D2E= 0 Chk= 28 Scr= 缺少参数要手动输入的话,应该在哪里找参数 新手请大家多多指教 |
» 猜你喜欢
英国贝尔法斯特女王大学招收 2026 年 CSC/BBSRC phd 机器学习 催化剂设计方向
已经有0人回复
法国里昂大学招生CSC 资助博士生
已经有0人回复
物理化学论文润色/翻译怎么收费?
已经有84人回复
法国里昂大学接收CSC 资助访问学者
已经有0人回复
北京工业大学材料科学与工程学院《院士团队》招收工程专业博士研究生(计算优先)
已经有1人回复
钴酸锂半电池小倍率容量上不去
已经有1人回复
吉林大学材料物理本科生求问调剂信息
已经有23人回复
2026第二届光电子与半导体器件前沿技术研讨会——光电子赋能·半导体创芯!
已经有1人回复
光电子赋能·半导体创芯!
已经有1人回复
光电子赋能·半导体创芯!
已经有0人回复
找到一些相关的精华帖子,希望有用哦~
A Ph.D is NOT enough【转载】
已经有116人回复
怎么追MM?系统分析星座女的爱情观【转载】
已经有32人回复
JIT debugger is not available?
已经有4人回复
【问题求助】巧手MM们,谁教教我用微波炉做小点心?
已经有14人回复
【Share】It is not so difficult as we thought before.
已经有7人回复
始操厨艺的MM厨房必备的灶具有什么
已经有10人回复
word中的Endnot出现的错误
已经有5人回复
科研从小木虫开始,人人为我,我为人人












回复此楼
点击这里搜索更多相关资源