Dear all,
I am trying to do dynamics regarding solvation sugar molecules in ionic
liquids. Could anyone help me how to create the ionic liquid solvent box
using xleap? Ionic liquid that I will try to use is [Emim][TfO]
(1-ethyl-3-methylimidazolium Trifluoromethylsulfonate).
Ionic liquid is the liquid that is only composed of anion and cation. In
case of [Emim][TfO], Emim(1-ethyl-3-methylimidazolium) is cation(+1),
[TfO](Trifluoromethylsulfonate) is anion(-1).
Attached herewith is emimtfo mol2 file which I made.
Thanks for your help in advance
Regards,
Hoshin Kim
--
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Hoshin Kim
Now)
Visiting Scholar
Department of Chemical and Biomolecular Engineering
North Carolina State University
Raleigh, NC 27695
Phone: 919-986-9258
Also)
Graduate student
Ionic Liquids Team(ILs) in Bio Nano Process Lab
Department of Biological Engineering,
2S 113, Engineering building Inha University,
253 Yonghyeon Dong, Nam Ku
Incheon, KOREA
TEL) +82-32-860-8655
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Received on Mon May 03 2010 - 12:30:05 PDT
