[gmx-users] PME or Reaction field suitable for Gromos forcefield ?

[Sanku M]

________________________________
From: Sanku M <msanku65 at yahoo.com>
To: gmx-user at 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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