[gmx-users] bicelle gromacs MD simulation CG model?

[ANINDITA GAYEN]

--- On Fri, 13/6/08, ANINDITA GAYEN <aninditagayen at yahoo.co.in> wrote:

> From: ANINDITA GAYEN <aninditagayen at yahoo.co.in>
> Subject: 
> To: gmx-users at gromacs.org
> Date: Friday, 13 June, 2008, 9:56 AM
> Hi,
> 
>   I several papers of Marrink, Siewert J.; Mark, Alan E,
> and in a paper of Yong Jiang, bicelles are modeled with CG
> model. 
> 
> JCP 126, 045105 (2007) Jiang Y.
> Biophys. j. 87 182-192 Jiang Y.
>  Effect of Undulations on Surface Tension in Simulated
> Bilayers
> 
> Marrink, S. J.; Mark, A. E. J. Phys. Chem. B.; (Article);
> 2001; 105(26); 6122-6127.  DOI: 10.1021/jp0103474.
>  Molecular Dynamics Simulations of Mixed Micelles Modeling
> Human Bile
> 
> Marrink, S. J.; Mark, A. E.
> Biochemistry; (Article); 2002; 41(17); 5375-5382. 
> 
>  Molecular Dynamics Simulation of the Kinetics of
> Spontaneous Micelle Formation
> Marrink, S. J.; Tieleman, D. P.; Mark, A. E.
> J. Phys. Chem. B.; (Article); 2000; 104(51); 12165-12173. 
> 
> 
> Can someone help me?
> 
> 
> Message: 7
> Date: Fri, 13 Jun 2008 02:21:48 +1000
> From: Mark Abraham <Mark.Abraham at anu.edu.au>
> Subject: Re: [gmx-users] bicelle gromacs MD simulation CG
> model?
> To: Discussion list for GROMACS users
> <gmx-users at gromacs.org>
> Message-ID: <48514D1C.4080108 at anu.edu.au>
> Content-Type: text/plain; charset=UTF-8; format=flowed
> 
> ANINDITA GAYEN wrote:
> >
> > hi all,
> >
> > can someone give me information how to model a bicelle
> using gromacs? I have dmpc:chaps as the bicelle components,
> and i came to know that coarse grain model can help me.
> >
> > But, the picture is still not clear. Please help me to
> make the bicelle in gromacs.
> 
> Have you searched the web and the literature to see if
> anybody else has
> done something like this?
> 
> 
> 
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