Non-equilibrium molecular dynamics of steady-state fluid transport through a 2D membrane driven by a concentration gradient: simulation files

Moltemplate input scripts for creating the initial simulation configurations and sample LAMMPS input scripts for running each type of molecular dynamics simulation in the study "Non-equilibrium molecular dynamics of steady-state fluid transport through a 2D membrane driven by a concentration gradient"

Version 2 corrects minor errors in comments in lj-2d-nemd-dc-dp.in and lj-2d-nemd-dp.in describing setting the solute mole fraction in the low and high reservoirs. These changes do not affect any of the commands in the input scripts.