> > > 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.
You should report concrete values of density, topology and parameters, if you want help. -- Dr. Vitaly V. Chaban, Department of Chemistry University of Rochester, Rochester, New York 14627-0216
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