cg_openmm.parameters.optimize

Functions

calculate_C_v_fitness(C_v, T_list)
get_fwhm_symmetry(C_v, T_list)
get_num_maxima(C_v)
optimize_force_field_parameters_Cv_FWHM(...)	Generalized function for optimizating a set of cgmodel force field parameters to minimize the full-width half-maximum (FWHM) of heat capacity as a function of temperature.
optimize_parameter(cgmodel, ...[, steps])