2011-05-24
hanlu0366
发件人： hanlu0366
发送时间： 2011-05-19 17:43:21
收件人： amber
抄送：
主题： Estiblish
Dear sir,
Now I am simulating a molecular crystal ,but after MD ,the structure of cell (supercell) is disintegrated . I think it is a cause lacking a reasonable boundary condition . I want to estiblish a periodic box without solvent to compute the ststic-electonic interaction to keep the form of crystal of supercell unchanging, so inquire mehods estibilishing such box .
Yours Sincerely
2011-5-19
2011-05-19
hanlu0366
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Received on Mon May 23 2011 - 21:00:02 PDT
