======Chemistry and Material Science======

All chemistry and material science users at the CHPC should contact [[mailto:ALopis@csir.co.za|Anton Lopis]] for any related queries.
The following codes are supported at the CHPC:
  * [[howto:COMMERCIAL_CODES]] (**//Gaussian, Materials Studio, Schrodinger//**)
  * **NOT SUPPORTED** [[howto:DISCOVERY_STUDIO|DISCOVERY_STUDIO]]
  * [[howto:AMBER|AMBER14, AMBER18 AND AMBER20]]
  * [[howto:atat|ATAT]]
  * [[howto:CHIMERA|CHIMERA]]
  * [[howto:CP2K|CP2K]]
  * [[howto:dlpoly|DLPOLY]]
  * [[howto:gromacs|GROMACS]]
  * [[howto:LAMMPS|LAMMPS]]
  * [[howto:NAMD|NAMD]]
  * [[howto:NWCHEM|NWCHEM]]
  * [[howto:ORCA|ORCA]]
  * [[howto:quantum_espresso|QUANTUM_ESPRESSO]]
  * [[howto:vasp|VASP]]
  * [[howto:VMD|VMD]]