Simulation ---------- task = retis steps = 200000 interfaces = [-1.5,-1.2,-1.0,-0.9,-0.8,-0.7,-0.6,-0.55,-0.50,-0.45,-0.40,-0.35,-0.30,-0.25,-0.10,1.5] System ------ temperature = 1.0 dimensions = 1 units = lj Box --- size = [10.0] periodic = [True] Particles --------- mass = {'Ar': 1.0, 'Kr': 2.098, 'big': 10.0} name = ['Ar', 'Kr', 'big'] position = {'file': '/home/ola/Work/GUI_test/initial_1d_retis.xyz'} velocity = {'set_temperature': 1.0, 'seed': 0, 'generate': 'maxwell', 'momentum': False} type = [0, 1, 1] Forcefield ---------- description = Generic force field Potential --------- parameter c = 0.0 parameter b = 2.0 parameter a = 1.0 class = DoubleWell Engine ------ gamma = 0.3 timestep = 0.002 high_friction = False seed = 0 class = Langevin subcycles = 3 Orderparameter -------------- name = theta dim = x periodic = False index = 0 class = Position Collective-variable ------------------- name = h+_to_w1 Collective-variable ------------------- name = h+_to_w2 Retis ----- swapfreq = 0.5 relative_shoots = None nullmoves = True swapsimul = True Tis --- aimless = True zero_momentum = False allowmaxlength = False maxlength = 500 seed = 0 rescale_energy = False sigma_v = -1.0 freq = 0.5 Initial-Path ------------ method = kick kick-from = previous Output ------ pathensemble-file = 1 cross-file = 10 write_vel = False order-file = 1 prefix = trajectory-file = 0 backup = overwrite energy-file = 10