WARNING: this repository is not maintained, refer to LAMMPS tutorials for up to date LAMMPS instructions.
This directory contains advanced LAMMPS input scripts with comments, tips, and advices.
Equilibration of a single PEG molecule in a water box, followed by the forced stretching of the PEG molecule.
Grand canonical simulation of water at a NaCl(100) solid crystal surface, followed by the measure of the the heat of adsorption.
Tutorial for calculating the NMR relaxation time of a box of water.
You can find my contact information here, feel free to contact me if you have any question or request.
If you are a LAMMPS beginner, have a look at LAMMPS tutorials.