hgana.mc.MC(box, temp)¶This class run a Monte Carlo algorithm in order to calculate the probability of complex creating between two molecules.
| Parameters: |
|
|---|
Methods
_metropolis(dE) |
Performs the acceptance criterion of the Metropolis–Hastings algorithm. |
_move(mol_id, old, new) |
Move molecule from an old cell to a new cell. |
_run_phase(steps, binding, pb_f, n_print, …) |
Run Monte Carlo algorithm for a number of steps. |
run(steps_equi, steps_prod[, binding, pb_f, …]) |
Run Monte Carlo algorithm. |