[gmx-users] can gromacs simulate the c60?

Mark Abraham Mark.Abraham at anu.edu.au
Fri Mar 9 04:46:21 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?

Probably the best source of information is going to be that paper... 
Some of these questions you could only answer if you'd done a simulation 
on C60 already...


More information about the gromacs.org_gmx-users mailing list