SPC/E water model

A model for SPC/E water is created by moltemplate and some measurements are done by lammps package.

Main Repo:

1. Build_input -> Design the Box and equilibration
2. Viscosity -> Measuring the viscosity using Green-Kubo (GK) formula.
3. diffusion_coefficient_MSD -> Measuring diffusion coefficient D based on MSD method.
4. VACF -> Calculating VASF....

Disclaimer: This repository is made just for fun!