msmtools.flux.mfpt

msmtools.flux.mfpt(totflux, pi, qminus)

Mean first passage time for reaction A to B.

Parameters:
  • totflux (float) – The total flux between reactant and product
  • pi ((M,) ndarray) – Stationary distribution
  • qminus ((M,) ndarray) – Backward comittor
Returns:

tAB – The mean first-passage time for the A to B reaction
Return type:

float

See also

rate()

Notes

Equal to the inverse rate, see [1].

References

[1]F. Noe, Ch. Schuette, E. Vanden-Eijnden, L. Reich and T. Weikl: Constructing the Full Ensemble of Folding Pathways from Short Off-Equilibrium Simulations. Proc. Natl. Acad. Sci. USA, 106, 19011-19016 (2009)