On Thu, Sep 15, 2011, Neha Gandhi wrote:
>
> AMBER includes AMOEBA potentials but what water potentials are suitable
> along with it? Can i use flexible water model in AMBER11?
The expectation is that you will use the AMOEBA water potential if you have an
AMOEBA solute. I'm not sure whether or not other combinations will work,
either in the sense of giving the expected energies, or in the sense of giving
a good account of reality.
...dac
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Received on Thu Sep 15 2011 - 12:30:04 PDT
