[gmx-users] Re: Empirical potential for Pi stacking interactions?

Delmotte, Antoine antoine.delmotte09 at imperial.ac.uk
Sat Aug 11 12:52:22 CEST 2012

Many thanks for the references, Andreea. This is very helpful.

This is the type of things I was looking for, although if I could find 
something even simpler than Hunter's potential (which still seem to 
require an estimation of the charge distribution as I understand it), 
that would be even better.

I will check the citing articles of Hunter and Sanders' paper, and put 
the reference if I find something in case someone would be looking for 
the same thing in the future.

Thanks a lot.


Le 11/08/2012 08:45, Andreea a écrit :
> There is a short subchapter in Leach's Molecular modeling (chapter 4), Using
> charge schemes to study aromatic-aromatic interactions. Maybe you get your
> hands on the book. It refers to Hunter and Sanders 1990 article:
> http://pubs.acs.org/doi/abs/10.1021/ja00170a016
> There are more than 1000 articles citing the above one. Skim through and
> maybe your formula is in one of them.
> Andreea
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