[gmx-users] ffG43a2 and vdw
syma.khalid at bioch.ox.ac.uk
Tue Apr 25 20:48:14 CEST 2006
I think it could be a problem. I would redo one of the sims and then
compare. It shouldn't take long should it?
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
On Behalf Of Joanne Hanna
Sent: 25 April 2006 17:55
To: gmx-users at gromacs.org
Subject: [gmx-users] ffG43a2 and vdw
In the manual (page 81) it mentions that when using a Gromos96 ff the LJ
cut-off should be set at 1.4nm or more, I have been using 1.0nm, should this
cause many problems?
Department of Chemistry
University of Warwick
J.F.Hanna at warwick.ac.uk
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