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[求助]
discover模块中 Dipole moment correlation function analysis 老是失败?
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本人刚刚自学MS，就是按照教程做了一个比较简单的水盒子，但是为什么跑完动力学之后没有分析H2O的Dipole moment correlation function时，老是出现任务失败的提示呢？把图贴出来请大家给指点指点，这里先谢过了 11119.jpg |
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我把错误的提示贴出了，可是没有看懂啊，哪个好心人可以帮忙给看看，真心着急啊 out文件 Error: Miscellaneous: Error encountered in routine polymer_analysis: or a property involving temperature> invoked from within "analysis \ method = Dipole_Acf \ subset = "H2O" \ frame_definition = Sketch_1.fdf \ table = 1 \ file = S ..." Total time used by DISCOVER: 0.30 secs Completion date: Tue Jan 22 16:26:04 2013 Exiting Discover: An ERROR has occurred! |
2楼2013-01-22 16:33:15