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【求助】动力学出错了 已有1人参与
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Explanation: During neighborsearching, we assign each particle to a grid based on its coordinates. If your system contains collisions or parameter errors that give particles very high velocities you might end up with some coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot put these on a grid, so this is usually where we detect those errors. Make sure your system is properly energy-minimized and that the potential energy seems reasonable before trying again. Variable ci has value -2147483648. It should have been within [ 0 .. 1000 ] Please report this to the mailing list (gmx-users@gromacs.org) 我的动力学还没跑几步呢就出现错误了 我百思不得其解，希望高手能指点几招 谢谢 嘿嘿 |
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2楼2010-05-12 21:27:03