Date: Fri, 15 Jun 2012 15:30:00 -0700
Hello everyone,
I have some sulfonium molecules with a chiral tetrahedral sulfur atom.
Interestingly, the RESP charge calculated for this positive sulfur atom is
only around 0.1.
I also wonder how to set atom types for this sulfur from ff99SB. Would the
configuration flip if I am using ff99SB parameters for disulfide sulfur
atom?
Thanks for any suggestion,
Yun
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(image/png attachment: Sulf.png)
