Hi there,

I'd like to know whether I can calculate residence time of water molecules using Forcite, I think it is meaningful to obtain it in order to explain the effect of "a surface" or "a protein" on water molecules. AS the following ref stands, "This quantity CR(t) measures the probability that a water molecule remains in a given layer at a certain time t."

(Rocchi C, Bizzarri A R, Cannistraro S. Water dynamical anomalies evidenced by molecular-dynamics simulations at the solvent-protein interface[J]. Physical Review E, 1998, 57(3): 3315.)

Any recommendation would be appreciated!

Best Regards

nju