[gmx-users] charge distribution
hyxiao at mail.ipc.ac.cn
Thu Nov 13 03:32:41 CET 2008
For sodium dodecylbenzenesulfonate(C12H25C6H4SO3Na), the charges of S and O
in S03- , I cannot find the suitable charge. Forthermore, the carbon in
benzene connecting the SO3- is setted to be zero, I think that there may be
questionable. The polarization of SO3- is very large. what do you think so?
H. Y. Xiao
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