AIChE 2018 CoMSEF Hands-On Workshop Molecular Modeling Toolbox

This virtual machine contains ready-to-use software for molecular modeling, including tools to: Initialize and manage and analyze molecular simulations : Signac mBuild Foyer Freud physical_validation openMM Run molecular simulations : LAMMPS Gromacs HOOMD-Blue GOMC SSAGES Software complied from source is located in the ~/Code folder,use conda env list to list all of the conda environments. The username is aiche and the password is gobroncos for the VM.