#Run a fit to energies using the parameters defined earlier RUNTYPE=FIT COORDINATE_FORMAT=TRAJECTORY NSTRUCTURES=100 K=-466373.213677 PARAMETERS_TO_FIT=LOAD PARAMETER_FILE_NAME=prms.in FUNC_TO_FIT=SUM_SQUARES_AMBER_STANDARD QM_ENERGY_UNITS=HARTREE # Use the genetic algorithm with the following settings ALGORITHM=GENETIC OPTIMIZATIONS=50 MAX_GENERATIONS=10000 GENERATIONS_TO_CONV=20 GENERATIONS_TO_SIMPLEX=5 GENERATIONS_WITHOUT_SIMPLEX=5 MUTATION_RATE=0.100000 PARENT_PERCENT=0.250000 SEARCH_SPACE=-1 SORT_MDCRDS=ON # # Output files for later analysis WRITE_ENERGY=fit_output_energy_weighted.dat