[gmx-users] A question on [ bonds ]

zhangwei zhangw at sinr.ac.cn
Thu Aug 14 15:41:02 CEST 2003

   I want to simulate a carbon nanotube. If the harmonic bond streching is used to simulate the C-C interation interlayer, how could I write the [ bonds ] directive? Should I find neighbors of every carbon atom, and list them in the [ bonds ] directive? It'll be hard to do it. I didn't find x2top helpful to write the topology of a carbon nanotube.  And is the [ bonds ] directive indispensable? 
   Incidentally, thanks for Anton's answer.


        Wei Zhang
        zhangw at sinr.ac.cn

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