[AMBER] DNA partial charges in Amber library

From: jacob wick <jacobwick.la.gmail.com>
Date: Fri, 24 Apr 2015 10:53:08 +0530

Hi all,

I am currently facing a problem in deciding the partial charges on a
certain subsections of a DNA. For example if I take a DNA seq of ATTC the
first chunk would be assigned -0.3079 charge as per the amber library and
the last chunk i.e. 3' end assigned -0.6921 charge. Ideally the 5' should
have no charge as no phosphate group is there and 3' end should be -1
charge as one phosphate group is present (as per the amber standard
residues). Please suggest what is the reason behind this charge
distribution and how to decide the charges on the terminal.

Thanks,
Jac
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Received on Thu Apr 23 2015 - 22:30:02 PDT
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