HGAna 0.1
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        • MC.run

    MC.run¶

    MC.run(steps_equi, steps_prod, binding=[{'host': 0, 'guest': 1}], pb_f=[1000, 100], n_print=1000, out=['', 0], traj=['', 0])¶

    Run Monte Carlo algorithm.

    Parameters:
    steps_equi : integer

    Number of MC steps in the equilibration phase

    steps_prod : integer

    Number of MC steps in the production phase

    binding : list, optional

    Systems to calculate the binding probability for

    pb_f : list, optional

    Length and frequency of probability calculation list

    n_print : integer, optional

    Number of steps to print output for

    out : list, optional

    Probability output file link and frequency in steps

    traj : list, optional

    Trajectory output file link and frequency in steps

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    © Copyright 2021, Hamzeh Kraus.
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