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fwang2011金虫 (小有名气)
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[求助]
how to prepare the long chain input & how to get the optimized structure
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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. |
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2楼2011-09-27 16:12:51