[gmx-users] A question on simulation carbon nanotubes

zhangwei zhangw at sinr.ac.cn
Sun Aug 10 15:46:02 CEST 2003


     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

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