[gmx-users] (no subject)

ANINDITA GAYEN aninditagayen at yahoo.co.in
Fri Jun 13 06:26:14 CEST 2008


  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

> 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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