On Mon, Jun 18, 2012, Dilraj LAMA wrote:
>
> I am currently setting up a system for simulation which a ligand
> molecule consisting of a tri-phosphate group similar to ATP and GTP.
If you haven't done so, please look at the contibuted parameter database,
http://www.pharmacy.manchester.ac.uk/bryce/amber. That should get you started
(of finished!) on parameters for ATP and GTP.
....dac
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Received on Mon Jun 18 2012 - 05:30:03 PDT
