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

[ysun at mie.utoronto.ca]

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 
 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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