[gmx-users] Graphene modeling

‪Mohammad Roostaie‬ ‪ mohammad.r0325 at yahoo.com
Sun May 14 15:49:07 CEST 2017

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?



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