Force fields: Difference between revisions

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'''Force fields''' consist of (hopefully) transferable parameters for molecular sub-units. They are designed to be applicable to a variety of molecular systems, in particular for [[flexible molecules]] , over a range of thermodynamic conditions.  
'''Force fields''' consist of (hopefully) transferable parameters for molecular sub-units. 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 value varies depending on the atomic elements in question.
==List of force fields==
==List of force fields==
{{columns-list|3|
{{columns-list|3|
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*[[WBFF]]
*[[WBFF]]
}}
}}
==See also==
==See also==
*[[Idealised models]]
*[[Idealised models]]
*[[Realistic models]] as well as [[polymers]] and [[proteins]].
*[[Realistic models]] as well as [[polymers]] and [[proteins]].
[[category: Computer simulation techniques]]
[[category: Computer simulation techniques]]

Revision as of 12:06, 8 March 2010

Force fields consist of (hopefully) transferable parameters for molecular sub-units. 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 value varies depending on the atomic elements in question.

List of force fields

See also