| 查看: 407 | 回复: 1 | |||
fwang2011金虫 (小有名气)
|
[求助]
how to prepare the long chain input & how to get the optimized structure
|
|
I'm very new to GAMESS. I'm learning how to work w/ GAMESS. Here are my two questions. (1) how to get the resulting structure after optimization on an input Everytime when I read in the *.dat by MacMolPlt, I only see the very initial input. But I want to view the optimized structure. How to do it? (2) I learned how to prepare a simple (in some sense, like h2o, ch4, etc) structure by MacMolPlt, but I didn't find any hints on how to prepare a chain structure, such as CH3(CH2)100CH3. Any suggestions? Thank you very much. |
回复此楼» 猜你喜欢
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
-
物理化学论文润色/翻译怎么收费?
已经有61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
-
QE计算电声耦合的时候报错Error in routine lambda (100)wrong or too many modes
已经有2人回复
-
帮导师招2026CSC博士（巴塞罗那自治大学UAB-CSC博士项目）
已经有3人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- How to Resolve the Euro Crisis
已经有5人回复
- 【求助】How to make a table like output in the client area using MFC
已经有4人回复
- 【Discussion】How long we can go to find the truth?
已经有8人回复
- 【Discussion】How to spend the mid-autumn day?
已经有11人回复
- 【Diary】Travelogue: Preview tells you how to enjoy the World Expo to the fulles
已经有5人回复
2楼2011-09-27 16:12:51