[gmx-users] CNT

trevor brown trevorbrown34 at gmail.com
Tue Jan 18 00:25:38 CET 2011

Dear friends,
I have constructed a .top file for a CNT by g_x2top. to do this I have added
C-C interactions in .n2t file and also related ff in .atomtypes.atp. I have
also a .top file for a peptide by pdb2gmx.
My aim is to construct a simulation system in which I want to see the

I don't know the next steps, could you guide me for further steps?
My second question; I have .gro and .tp files for both CNT and peptide, do I
need any other files such as .itp or .ndx?
Last question: Do you have such a tutorial?

best wishes
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