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AMBER
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=== Parameter sets === To use the AMBER force field, it is necessary to have values for the parameters of the force field (e.g. force constants, equilibrium bond lengths and angles, charges). A fairly large number of these parameter sets exist, and are described in detail in the AMBER software user manual. Each parameter set has a name, and provides parameters for certain types of molecules. *[[Peptide]], [[protein]], and [[nucleic acid]] parameters are provided by parameter sets with names starting with "ff" and containing a two digit year number, for instance "ff99". As of 2018 the primary protein model used by the AMBER suit is the ff14SB<ref>{{Cite journal |doi = 10.1021/acs.jctc.5b00255|pmid = 26574453|pmc = 4821407|title = Ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB|journal = Journal of Chemical Theory and Computation|volume = 11|issue = 8|pages = 3696β3713|year = 2015|last1 = Maier|first1 = James A|last2 = Martinez|first2 = Carmenza|last3 = Kasavajhala|first3 = Koushik|last4 = Wickstrom|first4 = Lauren|last5 = Hauser|first5 = Kevin E|last6 = Simmerling|first6 = Carlos}}</ref><ref>{{Cite web|url=http://ambermd.org/AmberModels.php|title = The Amber Force Fields}}</ref> force field. * ''General AMBER force field'' (GAFF) provides parameters for small organic molecules to facilitate simulations of drugs and small molecule ligands in conjunction with biomolecules. *The GLYCAM force fields have been developed by Rob Woods for simulating carbohydrates. *The primary force field used in the AMBER suit for lipids is lipid14.<ref>{{Cite journal |doi = 10.1021/ct4010307|pmid = 24803855|pmc = 3985482|title = Lipid14: The Amber Lipid Force Field|journal = Journal of Chemical Theory and Computation|volume = 10|issue = 2|pages = 865β879|year = 2014|last1 = Dickson|first1 = Callum J|last2 = Madej|first2 = Benjamin D|last3 = Skjevik|first3 = Γ ge A|last4 = Betz|first4 = Robin M|last5 = Teigen|first5 = Knut|last6 = Gould|first6 = Ian R|last7 = Walker|first7 = Ross C}}</ref>
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