5 step process divided among five directories

Step 1.  Find or build a reasonable model of the isolated molecule.

Step 2.  Build a complete input configuration for the isolated molecule.

Step 3.  Build a LAMMPS input configuration for the isolated molecule.

Step 4.  Build a LAMMPS input file with the appropriate potential.

Step 5.  Run a LAMMPS simulation of an isolated ethane molecule.

MSE 614
University of Tennessee, Knoxville
David Keffer
dkeffer@utk.edu
February 24, 2016