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This is a list of computer programs that are predominantly used for
molecular mechanics Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using Force field (chemi ...
calculations.


See also

* Car–Parrinello molecular dynamics * Comparison of force-field implementations * Comparison of nucleic acid simulation software * List of molecular graphics systems * List of protein structure prediction software * List of quantum chemistry and solid-state physics software * List of software for Monte Carlo molecular modeling * List of software for nanostructures modeling * Molecular design software *
Molecular dynamics Molecular dynamics (MD) is a computer simulation method for analyzing the Motion (physics), physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamics ( ...
* Molecular modeling on GPUs * Molecule editor * PyMOL


Notes and references


External links


SINCRISLinux4ChemistryWorld Index of Molecular Visualization ResourcesOpenScienceMaterials modelling and computer simulation codesA few tips on molecular dynamicsatomistic.software - atomistic simulation engines and their citation trends
{{DEFAULTSORT:Molecular mechanics modeling software Computational chemistry software Computational chemistry Software comparisons Molecular dynamics software Molecular modelling software Science software