On Wed, Apr 06, 2011, Junjian Miao wrote:
>
> with non-aqueous solvent, such as CHCl3, can we use generalized Born
> solvation model? how to set up the parameters, e.g. extdiel=20.0, for
> the organic solvent GB modelling?
As far as I know, Amber developers have not done much in this area. But a
quick Google search for "generalized Born chcl3" yields some interesting
leads.
...dac
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Received on Wed Apr 06 2011 - 06:00:04 PDT
