You are probably better off with the pi-pi interactions calculated by
Amber than a simple DFT calculation.
Best,
Gustavo Seabra
Professor Adjunto
Departamento de Química Fundamental
Universidade Federal de Pernambuco
Fone: +55-81-2126-7450
On Tue, Jul 17, 2012 at 5:42 AM, jit mukherjee <jitiitkgp.gmail.com> wrote:
> Thanks a lot. What's the case with pi-pi stacking interaction energy? I
> think,it is included in the VDW part of energy. Is there any way to
> calculate pi-pi interaction energy in AMBER?
> Regards,
> jit
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
