[Main] # The type of job to run. Current options are # ProcessSearch and Minimization JOB=Parallel_Replica #JOB=MD temperature=1500 # description RANDOM_SEED # -1 = time is used to seed the random generator RANDOM_SEED=200 [Potential] potential=morse_pt [Dynamics] time_step=1.0 #unit of fs time=5000.0 thermostat=andersen nose_mass=1.0 andersen_alpha=0.2 andersen_collision_period=10.0 langevin_friction=0.01 [Parallel Replica] stop_after_transition=F dephase_time=200.0 refine_transition_time=T state_save_interval=10.0 state_check_interval=1000.0 post_transition_time=200.0