the QM/MM MD project

William Tao ywta... at gmail.com
Thu Mar 2 16:12:27 CET 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.
>
> THANKS 
>
> NJ
>
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