AMBER Archive (2009)

Subject: [AMBER] REMD

From: Shaikh Abdul R S Ramaju (
Date: Tue Jun 23 2009 - 00:32:34 CDT

Dear Amber Users,


I am trying to use the Replica exchange molecular dynamics for the
protein molecule. Total charge on the system is -3.00. Do I need to
neutralize the charge before creating topology file or I can use it as


Thanks a lot



Abdul Rajjak

AMBER mailing list