Can I read MD Simulation Setup for Kerogen on EtoBox?

MD Simulation Setup for Kerogen by Luu Xuan Cuong is a document available to read on EtoBox.

What is MD Simulation Setup for Kerogen about?

This document provides an overview of molecular dynamics (MD) simulations. It discusses the interaction energies involved, including bond interactions, non-bond interactions, and the principles of MD simulation. It also outlines the typical steps to set up and run an MD simulation using software like LAMMPS or Gromacs, including creating configuration, index, and force field files. Specific examples are given on simulating a mixture of propane and kerogen molecules using Gromacs on a supercomputer.

Author

Luu Xuan Cuong

Language

EN