model molecules for getting charges of DNA

From: Jiyoung Heo <>
Date: Sat 08 Jun 2002 17:20:10 -0700

Dear Amber developers,

I am wondering what was the model compound to get the charges for DNA
base. I assume that it could be 1-methylpyrimidine or 9-methylpurine.
Was it deoxyribonucleoside?
I am trying to get the charges for a non-standard base.
When I looked at your, the sugar and phosphate parts have
common charges except C1' and H1'. How did you re-distribute your
residual charge of base part after you got the charges from QM

Received on Sat Jun 08 2002 - 17:20:10 PDT
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