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 adsorption.
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 trevor
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