Welcome to waterdynamics’s documentation!

This package provides classes and functions for the analysis of water dynamics and water interactions with other molecules in molecular simulations. The functions in this package are: water orientational relaxation (WOR) [1], hydrogen bond lifetimes (HBL) [2], angular distribution (AD) [3], mean square displacement (MSD) [4], and survival probability (SP) [5].

For more information about this type of analysis please refer to [6] (water in a protein cavity) and [7] (water in a nanopore).

Indices and tables