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research:chemistry

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research:chemistry [2022/08/12 10:27]
alopis 		research:chemistry [2025/12/09 15:27] (current)
alopis
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 All chemistry and material science users at the CHPC should contact [[mailto:ALopis@csir.co.za|Anton Lopis]] for any related queries. 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: The following codes are supported at the CHPC:
-  * [[howto:COMMERCIAL_CODES]] (Gaussian, Materials Studio, Schrodinger) +  * [[howto:COMMERCIAL_CODES]] (**//Gaussian, Materials Studio, Schrodinger//**) 
-  * **Not Supported** [[howto:DISCOVERY_STUDIO|DISCOVERY_STUDIO]]+  * **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:gromacs|GROMACS]]
-  * [[howto:AMBER|AMBER14 AND AMBER18]] 
-  * [[howto:NAMD|NAMD]] 
   * [[howto:LAMMPS|LAMMPS]]   * [[howto:LAMMPS|LAMMPS]]
-  * [[howto:dlpoly|DLPOLY]]+  * [[howto:NAMD|NAMD]] 
 +  * [[howto:NWCHEM|NWCHEM]]
   * [[howto:ORCA|ORCA]]   * [[howto:ORCA|ORCA]]
   * [[howto:quantum_espresso|QUANTUM_ESPRESSO]]   * [[howto:quantum_espresso|QUANTUM_ESPRESSO]]
   * [[howto:vasp|VASP]]   * [[howto:vasp|VASP]]
-  * [[howto:NWCHEM|NWCHEM]] 
-  * [[howto:CP2K|CP2K]] 
-  * [[howto:atat|ATAT]] 
   * [[howto:VMD|VMD]]   * [[howto:VMD|VMD]]
-  * [[howto:CHIMERA|CHIMERA]]+
      
  
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