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zyj8119

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[交流] 貌似最近又有新的GCMC的代码了已有7人参与

Grand Canonical Monte Carlo Simulations.GrandCanonical
Monte Carlo (GCMC) simulations were performed by means of the
Complex Adsorption and Diffusion Simulation Suite (CADSS)
code75 with typically 2.0 X108 Monte Carlo steps following 1.5 X
107 steps for equilibration. The Ewald summation was also used for
calculating the electrostatic interactions while the short-range contributions
were computed with a cutoff distance of 12 Å to be
consistent with MD calculations.
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jjxiang

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小木虫: 金币+0.5, 给个红包,谢谢回帖
楼上都是分子设计里面的牛人啊············
学习学习!!!占个位置!·········
下一步,做自己!!
29楼2012-08-01 07:26:55
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