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linldq

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[交流] 【求助】DMol3中的dynamic

请问DMOL3中的Dynamic功能有什么用,该怎么用呢。谢谢。
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zzy870720z(金币+2): 谢谢提示 2011-04-06 00:06:42
linldq(金币+1): 2011-04-06 14:56:22
Molecular dynamics in DMol3 allows you to simulate how the atoms in a structure will move as a function of time under the influence of computed forces by solving Newton's classical equations of motion, modified, where appropriate, to take account of the effects of temperature on the system.

help里面有
2楼2011-04-05 17:05:53
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