[gmx-users] Question about MD simulations of carbon nanotube manipulation

[David]

On Thu, 2003-06-26 at 17:42, ysun at mie.utoronto.ca wrote:
> I am also try to find the suitable package for CNT simulation, and could not 
> find suitable one. 
> 
> I heard this website may help, but I have not tried it 

what is CNT?


>  www.mse.ncsu.edu/CompMatSci/
> 
> Sun
> 
> 
> Quoting FUNG WAI KEUNG <wkfung at acae.cuhk.edu.hk>:
> 
> > Dear GROMACS users,
> > 
> > I am new to GROMACS  and molecular dynamic simulation.  I am going to
> > perform simulation on manipulating carbon nanotubes using AFM.  After
> > reading the manual of GROMACS, I still cannot figure out how to define
> > force field(s) to simulate explicitly defined movement of the AFM tip
> > (constructed by atoms packed in a pyramid shape) for CNT manipulation.
> > Does anyone has experience in defining similar kind of force fields? or if
> > Gromacs is an appropriate tool for similar kind of simulations, would you
> > please suggest me suitable simulation packages for my purpose?
> > 
> > Thanks in advance.
> > 
> > ========
> > Regards,
> > Wai-keung, Fung
> > 
> > Department of Automation and Computer-Aided Engineering,
> > The Chinese University of Hong Kong,
> > Shatin, N.T.,
> > Hong Kong
> > 
> > Tel: (852)26098056	Fax: (852)26036002
> > Email: wkfung at acae.cuhk.edu.hk
> > 
> > 
> > 
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> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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://xray.bmc.uu.se/~spoel
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