Milestoning is an approach for estimating the characteristic time scales of slow processes by combining data from many short simulations.

In the milestoning method, progress along a reaction coordinate is partitioned by creating a set of points, or hypersurfaces. Many short, independent trajectories are simulated, and the probability and mean first passage time for reaching an adjacent milestone are calculated to find the stationary flux across milestone boundaries. By considering all milestones along a reaction coordinate, the characteristic time scale for this transition can be obtained.

For the details of milestoning theory, see Faradjian and Elber, (2004) and West et al., (2007).

Computational Tools

Milestoning can be performed using the following software tools: