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

[ysun at mie.utoronto.ca]

could you tell more on x2top and where can find x2top?

Thanks




Quoting David <spoel at xray.bmc.uu.se>:

> 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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