[CP2K-user] the MD simulation of confined water and graphene

[egbertchang]

but i RUN 30PS and take tha last 10PS to  Analysis . 

在2021年4月22日星期四 UTC+8 下午10:42:54<Matt W> 写道：

> That's what I'd expect to see from a short simulation. Try running a 
> classical version in your favourite software. You'll need 10s of ps minimum 
> to get sensible statistics on the water density.
>
> On Thursday, April 22, 2021 at 2:25:12 PM UTC+1 egbertchang wrote:
>
>> Dear All
>>
>> I am trying to Run the simultion of graphene and confined water with 
>> CP2K7.1,  however I found the bulk water density is very unstable?  Can 
>> anyone look at this input file and tell me the reason? [image: 
>> Graph2.jpg]
>>
>
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