模拟得到的轨迹是各个原子的三维坐标数据，怎么把这些三维坐标数据转换为一组完备的内坐标（internal coordinates），如键长、键角、二面角啊？
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molecular internal coordinate 分子内坐标
internal displacement coordinate 内位移坐标
Coordinate Internal Resources 协调公司内部资源
Internal reaction coordinate calculation 内禀反应坐标计算
Coordinate external and internal audits 协调外部和内部审核
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The quadrature method of moment (QMOM) for population balance equation (PBE) with volume as the internal coordinate was investigated.
研究以体积为内部属性的群体平衡模型的矩积分求解方法。
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The circular also emphasizes the need for agencies to integrate and coordinate internal control assessments with other internal control-related activities.
WHITEHOUSE: OMB Circular A-123 - Management's Responsibility for Internal Control | The White House
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