Hi all,
To calculate residence time from potential of mean force (PMF), we use stable state picture. Here a reaction state, product state are defined. This is done from radial distribution function. The time taken to move from reaction state to product state is designated as t and residence time is given by,
1-P(t) = e^{-t/tau}, tau is the residence time,
P(t) is the probability that it moves from reaction state to product state,
t= time taken to move from reaction state to product state. How to calculate P(t)?