#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

