[gmx-users] Re: Empirical potential for Pi stacking interactions?
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:
> There are more than 1000 articles citing the above one. Skim through and
> maybe your formula is in one of them.
> View this message in context: http://gromacs.5086.n6.nabble.com/Empirical-potential-for-Pi-stacking-interactions-tp5000064p5000083.html
> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
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