Dear Prof. Case,
I should definitely cite that paper. Additionally, a
paper published at
P. Cieplak, J. Caldwell, P. Kollman (2001). J.
Comp.Chem., 22,10,1048-1057.
also seems to be relevant to the induced dipole issue.
thanks,
jenk.
--- "David A. Case" <case.scripps.edu> wrote:
> On Fri, Apr 22, 2005, Cenk Andac wrote:
> >
> > Could someone please formulate inddip used in
> sander?
>
> This is probably the best reference:
>
> %A A. Toukmaji
> %A C. Sagui
> %A J. Board
> %A T. Darden
> %T Efficient particle-mesh Ewald based approach to
> fixed and induced
> dipolar interactions
> %J J. Chem. Phys.
> %V 113
> %P 10913-10927
> %D 2000
>
> ....dac
>
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Received on Mon Apr 25 2005 - 20:53:00 PDT
