AMBER Archive (1999)

Subject: electrostatic interactions

From: Marcela Madrid (mmadrid_at_gardel.psc.edu)
Date: Wed Oct 20 1999 - 15:51:49 CDT

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