Dear all,
I'm new to the Amber simulation package, but I've been using the parameters
from Amber force field for a while. Recently, we are trying to compare some
properties with nitrile groups (-CN) with parameters of different force
fields. I went through the original papers of Amber force field and the
parameter files downloaded from Amber website, I found all the other
informations including Non Bond parameters, Angles, bonds, dihedral angles
and so on. But I just couldn't find the partial charges on the CN group
anywhere.
Could anybody please to help me out or just tell me where I should go to
find it, since I may need this kind of info for other groups in the future?
Thanks in advance and I appreciate all you help.
Jihang
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Received on Mon Sep 28 2009 - 11:00:02 PDT
