[gmx-users] A question on simulation carbon nanotubes

[zhangwei]

Hi,everybody,

     I want to simulate carbon nanotubes with gromacs. Within the types of potentials given in Gromacs, I don't know how to construct the bonding interaction in the nanotubes. Could I simulate the bonds in a nanotube with only van de Waals potential? 

	

　　　　　　	

　　　　　　　　Wei Zhang
　　　　　　　　zhangw at sinr.ac.cn
　　　　　　　　　　2003-08-10