[gmx-users] Marrink et al paper

[hhhh huan]

Dear all, 
 I have read through the journal which David suggested. So,I am wonder how to generate the graph that show the comparison of the stability of cylindrical and sperical micell ( as stated as Figure 2 in that paper)

Thanks. 




--- On Tue, 9/23/08, David van der Spoel <spoel at xray.bmc.uu.se> wrote:

> From: David van der Spoel <spoel at xray.bmc.uu.se>
> Subject: Re: [gmx-users] Forming a micelles
> To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Date: Tuesday, September 23, 2008, 1:16 PM
> 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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