[gmx-users] Question about CNT simulation
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.
More information about the gromacs.org_gmx-users