Materials modelling and computer simulation codes: Difference between revisions
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*[[Assisted Model Building with Energy Refinement (AMBER)]] | *[[Assisted Model Building with Energy Refinement (AMBER)]] | ||
*[[NAMD]]: Classical MD | *[[NAMD]]: Classical MD | ||
*[[CHARMM]] | *[[CHARMM]]: Chemistry at HARvard Molecular Mechanics | ||
*[[GROMACS]]: Classical MD | *[[GROMACS]]: Classical MD | ||
*[[X-PLOR]] | *[[X-PLOR]]: Computational structural biology | ||
*[[VASP]]: Ab initio MD | *[[VASP]]: Ab initio MD | ||
*[[CPMD]]: Carr-Parrinello MD | *[[CPMD]]: Carr-Parrinello MD | ||
Revision as of 11:17, 22 February 2007
- DL_POLY: Molecular Simulation Package
- LAMMPS: Molecular Dynamics Simulator
- DiMol2D: Molecular Dynamics Visualization
- VMD: Molecular Dynamics Visualization in 3D
- XCrysDen: Crystalline and molecular structure visualisation
- Gaussian: Computational Chemistry
- Assisted Model Building with Energy Refinement (AMBER)
- NAMD: Classical MD
- CHARMM: Chemistry at HARvard Molecular Mechanics
- GROMACS: Classical MD
- X-PLOR: Computational structural biology
- VASP: Ab initio MD
- CPMD: Carr-Parrinello MD
- WIEN2K: Electronic structure calculation in solids
- NWCHEM: Computational Chemistry
- Dalton: Computational Chemistry