[gmx-users] bicelle gromacs MD simulation CG model?
Justin A. Lemkul
jalemkul at vt.edu
Fri Jun 13 12:24:47 CEST 2008
Can you be more specific as to what you need help on? I'm familiar with
a couple of these papers, and the methods sections are quite good.
Files are freely available on S.J. Marrink's site, as well as a list of
pertinent publications detailing their methodology.
ANINDITA GAYEN wrote:
> --- On Fri, 13/6/08, ANINDITA GAYEN <aninditagayen at yahoo.co.in> wrote:
>> From: ANINDITA GAYEN <aninditagayen at yahoo.co.in>
>> To: gmx-users at gromacs.org
>> Date: Friday, 13 June, 2008, 9:56 AM
>> I several papers of Marrink, Siewert J.; Mark, Alan E,
>> and in a paper of Yong Jiang, bicelles are modeled with CG
>> JCP 126, 045105 (2007) Jiang Y.
>> Biophys. j. 87 182-192 Jiang Y.
>> Effect of Undulations on Surface Tension in Simulated
>> 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
>> 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?
>> Bring your gang together. Do your thing. Find your
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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