equilibriating LES

From: Eoin Galligan <paxeg_at_nottingham.ac.uk>
Date: Thu 19 Jul 2001 11:27:55 +0100

Hi
I am using LES on a protein-drug system. I am having problems with equilibrating it. The output from the equilibriation notes that the NPAIR has exceeded the max. I am using gradual warming and the belly method - are these compatible with LES?
Any help gratefully received - Regards, E.Galligan
Received on Thu Jul 19 2001 - 03:27:55 PDT