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<font face="Arial" size="2"><b><i>-- Original Message --</i></b><br >
From: prema.a@iiserpune.ac.in<br >
To: gmx-users@gromacs.org<br >
Date: Sat, 30 Apr 2011 10:30:53 +0530 (GMT+05:30)<br >
Subject: ionic liquids<br >
<br >
Sir,<br >
I am trying to create an ionic-liquid system comprising of 1-butyl-3-methyl-imidazolium(bmim) as cation and BF4-(bf4) as anion. I have generated the system using following command: genbox_d -cp bmim.gro -ci bf4.gro -nmol 125 -try 200 -o .pdb , well it created system of total 250 molecules 125 each but after equilibration the density is not matching with the reported.I tried "simulated annealing" procedure still no much difference. I wonder if there is any other way to generate an ionic liquid system or how the people do it tp reproduce the results , I urge for any quick suggestion.<br >
<br >
thanx,<br >
student.<br >
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