SPC/E water model
A model for SPC/E water is created by moltemplate and some measurements are done by lammps package.
Main Repo:
Build_input
-> Design the Box and equilibrationViscosity
-> Measuring the viscosity using Green-Kubo (GK) formula.diffusion_coefficient_MSD
-> Measuring diffusion coefficient D based on MSD method.VACF
-> Calculating VASF....
Disclaimer: This repository is made just for fun!