[gmx-users] sigma and epsilon values for C and H atoms in CNT

soumadwip ghosh soumadwipghosh at gmail.com
Fri Feb 5 12:27:26 CET 2016

   the atomtype descriptions for CNT in CHARMM27 force field are CA and HP
for carbon and hydrogen respectively( both of them aromatic). You will find
the sigma and epsilon values in the ffnonbonded.itp of the CHARMM27 ff
directory. Best of luck.


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