[gmx-users] can gromacs simulate the c60?

David van der Spoel spoel at xray.bmc.uu.se
Mon Mar 12 19:27:06 CET 2007

zzhwise1 wrote:
> hi everyone
>    I am planning to simulated the C60 ,but i am not sure whether the 
> gromacs can simulate it !
>    I have read a particle that simulated the CNT by using the gromacs 
> and using the Morse potential!so i want to know is it correct to C60?if 
> right,how to get the  morse parameters?
>    thanks a lot !
search literature for gromacs and c60 there are plenty of papers on CNT etc.

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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://folding.bmc.uu.se

More information about the gromacs.org_gmx-users mailing list