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
- Idealised models
- Realistic models as well as polymers and proteins.