Sure! Checkout LAMMPS (http://lammps.sandia.gov/ http://lammps.sandia.gov/) and these tutorials https://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_tutoria

Sure! Checkout LAMMPS (http://lammps.sandia.gov/ http://lammps.sandia.gov/) and these tutorials https://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_tutorials https://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_tuto... Also, check out Molecular Dynamics Simulation (http://www.amazon.com/Molecular-Dynamics-Simulation-Elementary-Professional/dp/047118439X/ref=sr_1_1?ie=UTF8&qid=1346044762&sr=8-1&keywords=haile+molecular+dynamics http://www.amazon.com/Molecular-Dynamics-Simulation-Elementa...) and Computer Simulation of Liquids (http://www.amazon.com/Computer-Simulation-Liquids-M-Allen/dp/0198556454/ref=sr_1_1?s=books&ie=UTF8&qid=1346044804&sr=1-1&keywords=Computer+Simulation+of+Liquids http://www.amazon.com/Computer-Simulation-Liquids-M-Allen/dp...)