<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt"><div><br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> Sanku M <msanku65@yahoo.com><br><b><span style="font-weight: bold;">To:</span></b> gmx-user@gromacs.org<br><b><span style="font-weight: bold;">Sent:</span></b> Wed, December 22, 2010 1:06:09 PM<br><b><span style="font-weight: bold;">Subject:</span></b> PME of Reaction field for Gromos forcefield ?<br></font><br>
<div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">Hi,<br> 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 . <br>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 ?<br>Alternatively, if I can get a sample .mdp file for typical gromos forcefield simulation, that will also be very helpful .<br>Sanku<br><div><br></div>
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