Hi All,
I am looking for force field parameters for ionic liquid [BMIM]+ [TF2N]- .
I tried to build this molecule using tleap and xleap.
I get this message when I read in the box of ionic liquid
+Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
+---Tried to superimpose torsions for: *-C12-S9-*
+--- With Sp2 - Sp0
+--- Sp0 probably means a new atom type is involved
+--- which needs to be added via addAtomTypes
+Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
+---Tried to superimpose torsions for: *-C5-S2-*
Any help will be greatly appreciated.
thanks,
ganesh
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Received on Wed Nov 16 2011 - 13:00:03 PST
