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| '''Force fields''' consist of (hopefully) transferable parameters for molecular sub-units, usually at the atomistic level. They are designed to be applicable to a variety of molecular systems, in particular for [[flexible molecules]], over a (limited) range of thermodynamic conditions. Force fields usually consist of two parts; a functional form, where aspects of the molecular geometry, such as bonds, angles, torsions etc, are each assigned a mathematical function. The second aspect is a set of parameters, whose values vary depending on the atomic elements in question. It is not uncommon to exclude [[hydrogen]] atoms using the [[United-atom model |united-atom approximation]].
| | *[[AMBER]] |
| Sometimes, for very large systems consisting of many large molecules, [[coarse graining]] is used. Force fields are often used to study macromolecules such as [[polymers]] and [[proteins]].
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| ==List of force fields==
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| {{columns-list|3|
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| *[[ABS force field | ABS]] | |
| *[[Force fields: Alkanes in nanoporous materials | Alkanes in nanoporous materials]]
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| *[[AMBER forcefield |AMBER]]
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| *[[AMBERN]]
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| *[[AMOEBA]]
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| *[[Approximate pair theory]] | | *[[Approximate pair theory]] |
| *[[CFF]]
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| *[[CFF91]]
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| *[[CHARMM]]
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| *[[CLAYFF]]
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| *[[CLDP force field | CLDP (Canongia Lopes-Deschamps-Pádua)]]
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| *[[COMPASS]]
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| *[[CVFF]] | | *[[CVFF]] |
| *[[DREIDING]]
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| *[[ECEPP/2]] | | *[[ECEPP/2]] |
| *[[ECEPP/3]]
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| *[[ENCAD]]
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| *[[GAFF]]
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| *[[GROMOS]] | | *[[GROMOS]] |
| *[[HFF]]
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| *[[HPLB force field | HPLB]]
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| *[[LCFF]] | | *[[LCFF]] |
| *[[MARTINI]]
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| *[[MM2]] | | *[[MM2]] |
| *[[MM3]] | | *[[MM3]] |
| *[[MM4]] | | *[[MM4]] |
| *[[MMFF94]] | | *[[MMFF94]] |
| *[[MVFF]]
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| *[[NERD]]
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| *[[OPLS]] | | *[[OPLS]] |
| *[[PCFF]]
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| *[[poly(ethylene oxide)]] | | *[[poly(ethylene oxide)]] |
| *[[ReaxFF]]
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| *[[SBM force field | SBM]]
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| *[[SHAPES force field |SHAPES]]
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| *[[SYBYL]]
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| *[[TraPPE]]
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| *[[TRIPOS]]
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| *[[UFF]]
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| *[[UNRES]]
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| *[[VLABON force field | VALBON]]
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| *[[VFF]]
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| *[[WBFF]]
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| }}
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|
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| ==See also==
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| *[[Idealised models]]
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| *[[Realistic models]]
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| [[category: Computer simulation techniques]]
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