[gmx-users] Question about MD simulations of carbon nanotube manipulation
spoel at xray.bmc.uu.se
Thu Jun 26 18:55:01 CEST 2003
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?
> 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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Dr. David van der Spoel, Dept. of Cell and Molecular Biology
Husargatan 3, Box 596, 75124 Uppsala, Sweden
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