AMBER Archive (2002)

Subject: turning PME off in AMBER7

From: lamon_at_lav.Boehringer-Ingelheim.com
Date: Thu Jun 20 2002 - 08:28:30 CDT

Is it possible to completely turn off Ewald in AMBER7? I have tried
use_pme=0 but it still "assumes a neutralizing plamsa" and I get an EWALD
BOMB.

Thanks for your help,
Lynn

Dr. Lynn Amon
Research Scientist
Boehringer-Ingelheim (Canada) Ltd.
2100 Cunard Street
Laval (Quebec) Canada H7S 2G5
(450) 682-4640
lamon_at_lav.boehringer-ingelheim.com