> I am planning to do some MD simulations of modified nucleic acids. Is it
> reasonable to use the am1-bcc charges for the modified nucleotides?
It is not clear, but I would expect it to be OK. However, you might as
well take advantage of the resource of the Santalucia group if you can, see:
http://archive.ambermd.org/200610/0117.html
or
http://ozone3.chem.wayne.edu:8080/Modifieds/
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Received on Wed Feb 14 2007 - 06:07:33 PST
