[gmx-users] a mess result

Wei Zhang zhangw at sinr.ac.cn
Thu Sep 4 18:00:01 CEST 2003


   I'm simulating a carbon nanotube. I use bond and angle harmonic potential for the bonding of carbon atoms. When pbc=no, it gives good result. But when I used periodic boundary condition, the result structure is a mess. Why? Could you help me?

        Wei Zhang
        zhangw at sinr.ac.cn

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