question

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1

Hi friends

for dihedral_style harmonic , the number of dihedral_coeff 1 80.0 1 2
what means ? and where I can find this number for material for example
graphene ?

2

Hi friends

for dihedral_style harmonic , the number of dihedral_coeff 1 80.0 1 2
what means ?

http://lammps.sandia.gov/doc/dihedral_harmonic.html

and where I can find this number for material for example
graphene ?

please learn about force fields in a suitable text book on molecular
dynamics simulations and realize how these parameters cannot be
assigned individually for certain materials and conditions, but have
to be assigned in combination of other parameters. then you can take
this knowledge and understanding and look up suitable force field
parameter sets in the published literature.

axel.