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xinniwo

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[交流] 【讨论】MD simulation about the energy transfer in biological system

Anyone has some ideas about this.
The energy transfer always accompanies the electron transfer, how can it be achieved in Gromacs.
Also hope someone can recommend some paper or someone who do nice job in this area.

Thanks.
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stelinven

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小木虫(金币+0.5):给个红包,谢谢回帖交流
lei0736(金币+1,VIP+0):谢谢 12-16 14:27
Seems QM can only do few atoms.. at present thousands or less..
3楼2009-12-11 11:38:54
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