# angle_style gaussian command ## Syntax ``` LAMMPS angle_style gaussian ``` ## Examples ``` LAMMPS angle_style gaussian angle_coeff 1 300.0 2 0.0128 0.375 80.0 0.0730 0.148 123.0 ``` ## Description The *gaussian* angle style uses the potential: $$E = -k_B T ln\left(\sum_{i=1}^{n} \frac{A_i}{w_i \sqrt{\pi/2}} exp\left( \frac{-2(\theta-\theta_{i})^2}{w_i^2}\right) \right)$$ This analytical form is a suitable potential for obtaining mesoscale effective force fields which can reproduce target atomistic distributions [(Milano)](Milano1). 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: - $T$ temperature at which the potential was derived - $n$ (integer \>=1) - $A_1$ (\> 0, radians) - $w_1$ (\> 0, radians) - $\theta_1$ (degrees) - \... - $A_n$ (\> 0, radians) - $w_n$ (\> 0, radians) - $\theta_n$ (degrees) ## Restrictions This angle style can only be used if LAMMPS was built with the EXTRA-MOLECULE package. See the [Build package](Build_package) doc page for more info. ## Related commands [angle_coeff](angle_coeff) ## Default none ------------------------------------------------------------------------ ::: {#Milano1} **(Milano)** G. Milano, S. Goudeau, F. Mueller-Plathe, J. Polym. Sci. B Polym. Phys. 43, 871 (2005). :::