Hi,
How should I go about building a four site model for CN- in antechamber
(after chemdraw). I have tried almost everything in the mol2 and frcmod
files, nothing works. I am trying to make this model:
CN- with C: at x=0 and charge q=0
N: at x=1.172 charge q=-1e
Two charge sites near C: -1.31e at q=-0.22 and +1.31e at x=0.22 angstrom.
I know the force fields won't be able to handle this model as it is not
very realistic, but I will change parameters once I get this model to work.
Thank You
Surma Talapatra
Graduate Student
Geva Group
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Received on Sun May 08 2011 - 13:30:03 PDT
