Dear Gargi Borgohai,
> I have the pdb file of fullerene2160. I am trying to
> load the molecule, save the parameters and to give a homogenous charge
> distrbution on all the carbon atoms. Will you please let me know how can i
> do it successfully.
If you consider all the carbon atoms of your fullerene chemically
equivalent (as they should be - to be checked) and if the total charge
of your molecule is zero, this likely means the charge value of each
carbon equals zero.
I would check what charge values are used in the literature for your
molecule or similar ones...
regards, Francois
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Received on Sun Jan 29 2012 - 10:30:02 PST
