[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...

Mark



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