AMBER Archive (2003)

Subject: Pi-Pi stacking

From: Fernando Martin (fmartin_at_plexxikon.com)
Date: Tue May 06 2003 - 12:35:45 CDT

Hello amberites,

  I was wondering if there was a way in AMBER to accentuate the recognition
of pi-pi stacks. I would think that implementing this would require that the
force field computes quadrupole interactions explicitly, but since this is
not currently done would anyone know of a way around it? Thanks in advance,

Fernando