Molecular dynamics simulations in photosynthesis
نویسندگان
چکیده
منابع مشابه
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A tutorial introduction to the technique of Molecular Dynamics (MD) is given, and some characteristic examples of applications are described. The purpose and scope of these simulations and the relation to other simulation methods is discussed, and the basic MD algorithms are described. The sampling of intensive variables (temperature T , pressure p) in runs carried out in the microcanonical (NV...
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Special-purpose parallel machines that are plugged into a workstation to accelerate molecular dynamics (MD) simulations are attracting a considerable amount of interest. These machines comprise scalable homogeneous multiprocessors for calculating nonbonded forces (Coulombic and van der Waals forces), which consume more than 99% of the central processing unit (CPU) time in standard MD simulation...
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ژورنال
عنوان ژورنال: Photosynthesis Research
سال: 2020
ISSN: 0166-8595,1573-5079
DOI: 10.1007/s11120-020-00741-y