# angle_style mm3 command ## Syntax ``` LAMMPS angle_style mm3 ``` ## Examples ``` LAMMPS angle_style mm3 angle_coeff 1 100.0 107.0 ``` ## Description The *mm3* angle style uses the potential that is anharmonic in the angle as defined in [(Allinger)](mm3-allinger1989) $$E = K (\theta - \theta_0)^2 \left[ 1 - 0.014(\theta - \theta_0) + 5.6(10)^{-5} (\theta - \theta_0)^2 - 7.0(10)^{-7} (\theta - \theta_0)^3 + 9(10)^{-10} (\theta - \theta_0)^4 \right]$$ where $\theta_0$ is the equilibrium value of the angle, and $K$ is a prefactor. The anharmonic prefactors have units $\deg^{-n}$, for example $-0.014 \deg^{-1}$, $5.6 \cdot 10^{-5} \deg^{-2}$, \... The following coefficients must be defined for each angle type via the [angle_coeff](angle_coeff) command as in the example above, or in the data file or restart files read by the [read_data](read_data) or [read_restart](read_restart) commands: - $K$ (energy) - $\theta_0$ (degrees) $\theta_0$ is specified in degrees, but LAMMPS converts it to radians internally; hence $K$ is effectively energy per radian\^2. ## Restrictions This angle style can only be used if LAMMPS was built with the YAFF package. See the [Build package](Build_package) doc page for more info. ## Related commands [angle_coeff](angle_coeff) ## Default none