[gmx-users] pressure scaling

nicolas Dinter dinter at rc.m-kagaku.co.jp
Tue Aug 3 10:36:25 CEST 2004

Before using this values of rvdw, rcoulomb, rlist and nstlist I had
rcoulomb=rlist=nstlist=1.3 and only SR energies, and when I turned rlist to
1.1 I get SR and LR energies.

-----Original Message-----
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org]On Behalf Of Berk Hess
Sent: mardi 3 août 2004 17:27
To: gmx-users at gromacs.org
Subject: RE: [gmx-users] pressure scaling

>LR:long range interaction,

Yes, I understood what LR stands for.
But I still don't understand what you exactly mean with
'having LR interaction'

>rvdw=1.3, rcoulomb=1.3, rlist=1.1 and nstlist=10

This seems reasonable to me.


Protect your PC - get McAfee.com VirusScan Online

gmx-users mailing list
gmx-users at gromacs.org
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list