On Fri, Dec 24, 2010, Jan.Heyda.seznam.cz wrote:
>
> I'd like to ask to polarizabilities used in GAFF. I went through some
> of Junmei Wang's papers, but they were either about GAFF, or about
> polarizability in force fields (some of AMBER force fields).
>
> My question what is the origin of the polarizabilities in GAFF and what
> should one cite when using these GAFF values.
If you mean the polarizabilities that are at the top of the gaff.dat file,
they are not currently used for anything, since GAFF is not a polarizable
force field. I believe these values were copied from parm99.dat. Maybe
others on the list know more.
...dac
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Received on Fri Dec 24 2010 - 13:00:04 PST
