pi-pi in AMBER

From: Lepsa <lepsik_at_marilyn.uochb.cas.cz>
Date: Tue 21 Jan 2003 18:53:27 +0100

Dear AMBER community,
I collected that even non-polarizable AMBER can correctly account for the
energetics of stacking and
T-shape pi-pi interactions between benzene and toluene dimers (chipot et al,
JACS 1996).

Does someone know whether this holds for the "contact" interaction only or
"solvent-separated" as well?
I'd like to know whether two phenylalanines can " feel" each other in MD in
AMBER when they are separated
by a layer of waters.

Thanks.

Regards,

    Martin Lepsik
Received on Tue Jan 21 2003 - 09:53:27 PST