Dear All,
I have two queries related to chiral center in my structure. I have non-standard residue with one chiral center thus two configurations possible R and S, but I have RESP charges (using Gaussian output with antechamber) and paramters (gaff) for R configuration only.
1) Can I use same charges for S configuration as of R?
2) Also can same parameters be used for S as of R or I have to apply some improper term?
thanks and regards;
JIomm
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Received on Mon Jun 11 2012 - 14:00:03 PDT
