title: Data from "Phase equilibrium of liquid water and hexagonal ice from enhanced sampling molecular dynamics simulations"
author: Piaggi, Pablo M.
description: This repository contains the input files to reproduce the results of the paper mentioned above. Brief summary of the contents of each folder: Environments : This folder has the reference environments that will be used for the definition of the CV Equilibration : Input and output files for the equilibration of liquid water and ice Ih. Distributions of the kernel and equilibrium box sizes for production runs. BiasedSimulations : Input and output files for the biased simulations (production runs). Most of the analysis of the simulations is described in a Jupyter Notebook in BiasedSimulations/Analysis.ipynb.