Dear Mary,
> I have to do a simulation study on nucleic acid-dipeptide complex. Can i
> use a combination ff99bsc0 and ff99SB. I thought as i am using standard
> aminoacid dipeptide as the ligand i dont have to do any QM charge
> derivation procedure. ff99SB would take care of it. Am Icorrect?
ff99SB and ff99bsc0 handle regular amino-acid and nucleic acid residues.
A regular aminoacid dipeptide should be handled by ff99SB...
regards, Francois
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Received on Tue Sep 04 2012 - 03:00:03 PDT
