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小木虫论坛-学术科研互动平台 » 计算模拟区 » 分子模拟 » Gromacs/Amber/NAMD » 【讨论】MD simulation about the energy transfer in biological system
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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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1楼 2009-12-10 20:46:39
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Joannaouc

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lei0736(金币+1,VIP+0):谢谢 12-16 14:27
用MM／QM做
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2楼2009-12-10 21:55:34
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stelinven

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lei0736(金币+1,VIP+0):谢谢 12-16 14:27
Seems QM can only do few atoms.. at present thousands or less..
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3楼2009-12-11 11:38:54
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