ADL: Cadmium parameters

Jack Shultz jackygrahamez at gmail.com
Fri May 9 10:11:46 PDT 2008


Yu,

I went ahead and entered extra parameters based on the values provided
by Rappe AK et al JACS 1992, 114, 10024-10035;

I have not compared results against positive controls, but these are
the parameters I am currently using.

http://www.hydrogenathome.org/download/AD4_parameters_8.91_windows_intelx86


On 5/9/08, Yu Chan Myung <yuchan.m at gmail.com> wrote:
> Unfortunately, there are no force field parameters for Cd in Autodock.
>  So you can calculate force field by molecular mechanics method or, you
>  should find Cd parameter in other Journals .
>  I think, later manner more easier.
>
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