________________________________
From: Sanku M <msank...@yahoo.com>
To: gmx-u...@gromacs.org
Sent: Wed, December 22, 2010 1:06:09 PM
Subject: PME of Reaction field for Gromos forcefield ?
Hi,
I was trying to use g53a5 gromos forcefield for my study of protein in water
. But, I found the original parameterization paper of gromos , in general
uses
reaction field for considering long range electrostatics .
But, I was wondering among PME and reaction field , which one will be more
apprpriate . Does PME cause any artifact if used with Gromos forcefield ?
Alternatively, if I can get a sample .mdp file for typical gromos forcefield
simulation, that will also be very helpful .
Sanku
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