[gmx-users] Question about CNT simulation

[Robert Johnson]

Use anything with sp2 carbon parameters. There are a bunch of
different sp2 atom types, however they all have the same lennard-jones
parameters.
Bob


On 6/4/07, bo yang <suriayang at gmail.com> 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?
>
> Cheers!
> Bo
>
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