| 查看: 468 | 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
合肥工业大学854仪器技术综合专业课考研
已经有0人回复
-
27年电化学博士毕业，想找海外QS前50的高校读博后求推荐
已经有3人回复
-
物理化学论文润色/翻译怎么收费?
已经有243人回复
-
27年电池/材料类博士申请
已经有2人回复
-
2027年博士申请或转博科研助理 求推荐
已经有1人回复
-
氯化钠与有机磺酸分离
已经有1人回复
-
瑞典-博后-固态电池-粘结剂-锂离子电池方向
已经有53人回复
-
广东省面上有什么动态么，啥时候公布呀？
已经有1人回复
-
高盐废水电催化氧化，氯离子存在下活性氯副产物、阳极选型的工程困惑
已经有0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
30