Importance of Force Decomposition for Local Stress Calculations in Biomembrane Molecular Simulations
نویسندگان
چکیده
منابع مشابه
Importance of Force Decomposition for Local Stress Calculations in Biomembrane Molecular Simulations.
Local stress fields are routinely computed from molecular dynamics trajectories to understand the structure and mechanical properties of lipid bilayers. These calculations can be systematically understood with the Irving-Kirkwood-Noll theory. In identifying the stress tensor, a crucial step is the decomposition of the forces on the particles into pairwise contributions. However, such a decompos...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2014
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct4008926