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<div>'''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]].<br />
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]].<br />
==List of force fields==<br />
{{columns-list|3|<br />
*[[ABS force field | ABS]]<br />
*[[Force fields: Alkanes in nanoporous materials | Alkanes in nanoporous materials]]<br />
*[[AMBER forcefield |AMBER]]<br />
*[[AMBERN]]<br />
*[[AMOEBA]]<br />
*[[Approximate pair theory]]<br />
*[[CFF]]<br />
*[[CFF91]]<br />
*[[CHARMM]]<br />
*[[CLAYFF]]<br />
*[[CLDP force field | CLDP (Canongia Lopes-Deschamps-Pádua)]]<br />
*[[COMPASSwefwefwefwef]]<br />
*[[CVFF]]<br />
*[[DREIDING]]<br />
*[[ECEPP/2]]<br />
*[[ECEPP/3]]<br />
*[[ENCAD]]<br />
*[[GAFF]]<br />
*[[GROMOS]]<br />
*[[HFF]]<br />
*[[HPLB force field | HPLB]]<br />
*[[LCFF]]<br />
*[[MARTINI]]<br />
*[[MM2]]<br />
*[[MM3]]<br />
*[[MM4]]<br />
*[[MMFF94]]<br />
*[[MVFF]]<br />
*[[NERD]]<br />
*[[OPLS]]<br />
*[[PCFF]]<br />
*[[poly(ethylene oxide)]]<br />
*[[ReaxFF]]<br />
*[[SBM force field | SBM]]<br />
*[[SHAPES force field |SHAPES]]<br />
*[[SYBYL]]<br />
*[[TraPPE]]<br />
*[[TRIPOS]]<br />
*[[UFF]]<br />
*[[UNRES]]<br />
*[[VLABON force field | VALBON]]<br />
*[[VFF]]<br />
*[[WBFF]]<br />
}}<br />
<br />
==See also==<br />
*[[Idealised models]]<br />
*[[Realistic models]]<br />
[[category: Computer simulation techniques]]<br />
*[[physics]]</div>125.236.252.41