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

[David]

On Thu, 2003-06-26 at 19:12, Christopher Yip wrote:
> On Thursday, June 26, 2003, at 12:55 PM, David wrote:
> 
> > 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?
> >
> >
> Carbon Nanotube...
For a CNT I would recommend using x2top for generating a topology.
Should be quite straightforward. 
> 
> So simulation of bucky-tubes...
> Christopher M. Yip, Ph.D., P.Eng.
> Associate Professor - Canada Research Chair in Molecular Imaging
> Departments of Chemical Engineering and Applied Chemistry
> Department of Biochemistry
> Institute of Biomaterials and Biomedical Engineering
> 407 Rosebrugh Building
> Toronto, Ontario, CANADA M5S 3G9
> (416) 978-7853
> (416) 978-4317 (fax)
> christopher.yip at utoronto.ca
> http://bigten.ibme.utoronto.ca
> 
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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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