[gmx-users] Forming a micelles

[David van der Spoel]

Chih-Ying Lin wrote:
> Hi
> I heard that it takes very long to see a micelle forming.
> How long should be the simulation time to see the micelle forming?
> How many nanoseconds to put on the simulation?
> 
> 
> Is there any particular difference to simulate the micelles than other system?
> My simulation steps are
> 1. prepare the topology files and coordinate files for the water and the solute
> 2. do the minimisation
> 3. generate the simulation box
> 4. put water and solute together
> 5. run MD with longer simulation time

@Article{ Marrink2000a,
   author =       "S. J. Marrink and D. P. Tieleman and A. E. Mark",
   title =        "Molecular dynamics simulation of the kinetics of
                   spontaneous micelle formation",
   journal =      "J Phys Chem B",
   year =         2000,
   volume =       104,
   pages =        "12165-12173"
}



> 
> Thank you
> Lin
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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