the QM/MM MD project

William Tao ywta... at
Thu Mar 2 15:12:27 UTC 2017

Also in the "tests" folder, there are some examples.

在 2017年3月2日星期四 UTC-6上午3:15:05,ning jiang写道:
> Dear ALL
> Some people know how to do QM/MM MD in cp2k ? I know that the CPMD can do 
> CPMD/MM calculation, but there is not clear example input for it.
> NJ
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