[gmx-users] Question about MD simulations of carbon nanotube manipulation
spoel at xray.bmc.uu.se
Thu Jun 26 19:27:00 CEST 2003
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
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
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
More information about the gromacs.org_gmx-users