[gmx-users] Question about CNT simulation

bo yang suriayang at gmail.com
Mon Jun 4 21:05:00 CEST 2007


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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