[gmx-users] Question about CNT simulation

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jun 5 03:54:12 CEST 2007

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.


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