Materials modelling and computer simulation codes: Difference between revisions
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*[[DiMol2D: Molecular Dynamics Visualization]] | *[[DiMol2D: Molecular Dynamics Visualization]] | ||
*[[VMD: Molecular Dynamics Visualization in 3D]] | *[[VMD: Molecular Dynamics Visualization in 3D]] | ||
*[[Gaussian]] | *[[Gaussian Computational Chemistry]] | ||
*[[Assisted Model Building with Energy Refinement (AMBER)]] | *[[Assisted Model Building with Energy Refinement (AMBER)]] | ||
*[[NAMD]] | *[[NAMD Classical MD]] | ||
*[[CHARMM]] | *[[CHARMM]] | ||
*[[GROMACS]] | *[[GROMACS Classical MD]] | ||
*[[X-PLOR]] | *[[X-PLOR]] | ||
*[[VASP]] | *[[VASP Ab initio MD]] | ||
*[[CPMD]] | *[[CPMD Carr-Parrinello MD]] | ||
*[[WIEN2K]] | *[[WIEN2K APW calculation in solids]] | ||
*[[NWCHEM]] | *[[NWCHEM Computational Chemistry]] | ||
Revision as of 09:32, 22 February 2007
- DL_POLY Molecular Simulation Package
- LAMMPS Molecular Dynamics Simulator
- DiMol2D: Molecular Dynamics Visualization
- VMD: Molecular Dynamics Visualization in 3D
- Gaussian Computational Chemistry
- Assisted Model Building with Energy Refinement (AMBER)
- NAMD Classical MD
- CHARMM
- GROMACS Classical MD
- X-PLOR
- VASP Ab initio MD
- CPMD Carr-Parrinello MD
- WIEN2K APW calculation in solids
- NWCHEM Computational Chemistry