[AMBER] benzene-sulfonate (atom type for Sulfur)

From: Jio M <jiomm.yahoo.com>
Date: Fri, 13 Jul 2012 05:37:56 -0700 (PDT)

Dear All,

I have some query regarding atom type for Sulfur in case of Benzene sulfonate (PhSO3- Na+). In gaff s6 (S with four connected atoms) and sy (Special s6 in conjugated systems) are there.


I am confused which one is more accurate?

thanks and regards,

jiom
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Received on Fri Jul 13 2012 - 06:00:03 PDT