electrostatic interactions

From: Marcela Madrid <mmadrid_at_gardel.psc.edu>
Date: Wed 20 Oct 1999 16:51:49 -0400

Hi,

I would like to know, in cases where PME calculations are not possible
due to memory constrains, what is the second best option ot
treat electrostatic interactions for proteins
and protein/DNA systems with AMBER ?
Is a 12 A cutoff OK, or is the switching option better and if so
what should the ranges be?

thank you, Marcela
Received on Wed Oct 20 1999 - 13:51:49 PDT