On Thu, Aug 30, 2007, Emilia Wu wrote:
>
> I am using MM/GBSA of amber8 to calcuate binding energy of
> protein/ligand system. There is one F atom in the ligand.
> Binding calculation is working fine. But I got "bad atom type:
> F"
Go the
http://amber.scripps.edu, enter "bad atom type" in the google search
box, click on "mailing list archives", then click "google search".
My guess (not being an mmtsb expert) is that you may want to set MS to a
non-zero value in you mmtsb input.
...good luck...dac
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Received on Sun Sep 02 2007 - 06:07:20 PDT
