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llllemonade

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[交流] 能量最小化

在用gromacs模拟的时候,能量最小化之后分子都在盒子里面,但是,做完npt和nvt之后,分子又都跑出盒子了,请问这是正常现象吗,原因是什么?

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brucefan

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llllemonade: 金币+10 2017-12-22 14:58:56
3楼2017-12-21 21:22:03
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awaken2013

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llllemonade: 金币+10 2017-12-22 14:58:13
2楼2017-12-20 23:27:03
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