the QM/MM MD project

ning jiang jiangni... at gmail.com
Fri Mar 3 03:42:38 CET 2017


thanks for your help

On Thursday, March 2, 2017 at 11:12:27 PM UTC+8, William Tao wrote:
>
> 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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