title: Some multiple-time-scale problems in molecular dynamics.
abstract: Many physical problems, particularly in chemical and biological systems, involve processes that occur over widely varying time scales. Such problems have motivated the development of new methods for treating multiple-time-scale problems in molecular dynamics (MD). Methods have been developed for determining the vibrational frequencies and normal modes of large systems in full and reduced conformational space. A method is given for quasiharmonic analysis and reduced quasiharmonic analysis.
authors.affiliation: National Institute of Chemistry, Hajdrihova 19, 1000 Ljubljana, Slovenia. dusa@kihp5.cmm.ki.si
authors.forename: Dusanka
authors.initials: D
authors.lastname: Janezic
mesh_terms: D000818:Animals; D007611:Aprotinin / Q000737:chemistry*; D002417:Cattle; D003461:Crystallography / Q000379:methods; D046911:Macromolecular Substances; D008958:Models, Molecular; D013816:Thermodynamics; D013997:Time Factors
chemical_list: D046911:Macromolecular Substances; D007611:Aprotinin