On 5/14/17 9:43 AM, Mohammad Roostaie wrote:
Hi GROMACS users, I want to model a graphene sheet. I used the instruction stated in link http://www.gromacs.org/Documentation/How-tos/Carbon_Nanotube. I put the cnt_oplsaa.ff folder in the directory where I want to run the rest of the work. Also, I rename the residues of the graphene to “CJ” and the atoms to “C”. but, when I want to use “gmx x2top”, I get the error that says it cannot find any forcefield type for the atoms. Can you please help me to figure this out?
Since all you have are C atoms, this should require only a one-line .n2t file (or addition to an existing one) that specifies the proper equilibrium bond length for C-C in your structure. Without seeing your .n2t file and the x2top screen output, there's nothing to suggest other than your .n2t file is somehow inadequate for what you're trying to do.
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