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 inqurie that how to estiblish a periodic box in Amber .
Yours Sincerely
2011-5-19
2011-05-19
hanlu0366
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Received on Thu May 19 2011 - 03:00:02 PDT