[gmx-users] Question about CNT simulation

[Mark Abraham]

bo yang wrote:
> Dear gromacs user,
> 
> I am doing a CNT-water simulation with using ffamber99 forcefield.
> I don't know what carbon and hydron atom models I should use.
> In ffamber99.atp, there are a lot of different C atoms with same mass.
> 
> Can you give me some suggestion?

Read papers dealing with CNT simulation with amber and see what they did.

Mark