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mdrun 又一个致命错误解决

作者:小宝 2017-04-20 10:04:55
1 of the 4956 bonded interactions could not be calculated because some atoms involved moved further apart than the multi-body cut-off distance (1.4 nm) or the two-body cut-off distance (1.4 nm), see option -rdd, for pairs and tabulated bonds also see option -ddcheck



Some interactions seem to be assigned multiple times


都是由于


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