Force field

Force fields are applicable to several categories.

Chemistry

In the context of molecular modelling, a force field (also called a forcefield) is a more loosely defined term and refers to the functional form and parameter sets used to describe the interactions (potential, forces) within a system of particles (atoms or similarly sized objects). It is independent of the system's electron configuration and is not a numerical field as in the above context.

Related Topics:
Molecular modelling - Functional form - Parameter - Interaction - Potential - Force - Atoms - Electron configuration

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A force field can be empirical, derived from higher-level modelling (e.g. quantum chemical studies), or even heuristic.

Related Topics:
Empirical - Quantum chemical - Heuristic

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Some popular forcefields and the types of molecules they can be applied to include:

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Classical forcefields:

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• AMBER - widely used for proteins and DNA
• CHARMm - originally developed at Harvard, widely used for both small molecules and macromolecules
• CVFF - also broadly used for small molecules and macromolecules
• GROMACS -
• GROMOS -
• OPLS, OPLSAA - developed by William L. Jorgensen

Second-generation forcefields:

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• CFF - a family of forcefields adapted to a broad variety of organic compounds, includes forcefields for polymers, metals, etc.
• MMFF - developed at Merck, for a broad range of chemicals
• MM2, MM3, MM4 - developed by Norman L. Allinger, for a broad range of chemicals