Dear Justin, 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? Thanks again!
H. Y. Xiao
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php