Hi Rajesh,
FYI, this paper may anwser you 2nd question to some extend.
C.D. Sherrill, B.G. Sumpter, M.O. Sinnokrot, M.S. Marshall, E.G.
Hohenstein, R.C. Walker, I.R. Gould, Assessment of Standard Force
Field Models Against High-Quality Ab Initio Potential Curves for
Prototypes of π- π, CH/π, and SH/π Interactions, J. Comput. Chem. 30
(2009) 2187-2193.
Regards,
Qiantao Wang
On Thu, Sep 22, 2011 at 7:24 PM, Rajesh Raju
<rajesh.raju.mail.chem.tamu.edu> wrote:
> Dear AMBER users,
>
> I am just curios about to know how AMBER treats CH/pi, OH/pi NH/pi
> type of interactions and stacking interactions. Does the van der wall
> interatcion terms are sufficient enough to model stacking ch/pi and
> stacking interactions as the major compent of this interactions are
> dispersion forces..
>
> Any explanations or suggestion appreciate
>
>
> Rajesh
>
>
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Received on Fri Sep 23 2011 - 08:00:02 PDT
