SIMULATION APPARATUS FOR PREDICTING BEHAVIOR OF MASS POINT SYSTEM
申请公布号:IN2937CHN2014(A)
申请号:IN2014CH02937
申请日期:2014.04.17
申请公布日期:2015.07.03
发明人:TSUMURA KYOSUKE;WATANABE HIROYUKI;OGAWA TOMOHIRO;NOGUCHI TAKAFUMI
分类号:G06F19/16;G06F17/50;G06F19/00
主分类号:G06F19/16
摘要:<p>In order to achieve improved calculation accuracy and reduced calculation time in a simulation for predicting dynamic behavior of a system that includes a biological macromolecule providing a simulation apparatus (10) including: a coordinate setting means (16) for setting slow coordinates and fast coordinates based on mass point coordinates; a coordinate extraction means (18) for obtaining a structure of the fast coordinates by subordinating the fast coordinates to the slow coordinates and obtaining by taking into account influence of a change in the fast coordinates on the slow coordinates due to a change in the slow coordinates a structure of the slow coordinates as a function of collective coordinate(s); and an inverse transformation means (20) for predicting time evolution of the mass point coordinates based on the collective coordinate(s) which can be obtained as a solution of a motion equation structure of the slow coordinates and structure of the fast coordinates.</p>
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