Description
This virtual machine contains ready-to-use software for molecular modeling, including tools to: Initialize and manage molecular simulations : Signac mBuild Foyer Avogadro pysimm Run molecular simulations : LAMMPS Gromacs HOOMD-Blue Cassandra Analyze molecular simulations: Freud A full python2.7 and python3.4 software stack is also included via conda . This virtual machine works best with VirtualBox . Software complied from source is located in the ~/Code folder. Different python environments can be accessed with the conda command. Use conda list to display the different conda environments.
| Date made available | 9 Jan 2018 |
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Keywords
- materials science
- molecular modeling