________________________________ From: Sanku M <[email protected]> To: [email protected] 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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