Date: Sat, 16 Apr 2011 09:54:40 +0800
Dear sir :
I am sorry to disturb you .I am a graduate,a novice simulating molecular crystals dy Amber , from XiaMen University in China . You are specialists about Amber ,so I want to inquire you how to construct a .prepi of a super cell 2*3*1 about the crystal of DT-TTF in Amber .The structure of unit cell is little stranger that we can't get a sound parameters of monomer(a molecular, not a clip) from the .Pdb files of unit cell. At first , I try to construct a .prepi of super cell about a molecular crystal from a .prepi of a monoer. but in next step ,when I had get the .prepi of supercell ,I found that there is only coordinates of monomer in .prepi of super cell. In assessory , it's my structral file , .cif , of unit cell of DT-TTF.
Yours Sincerely
Lu Han
2011-04-16
hanlu0366
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