umbrella sampling using plumed in cp2k

[Luiz Fernando Lopes Oliveira]

Obviously, life isn't that easy.
You have to compile Plumed and link it with CP2K. 
https://www.cp2k.org/howto:install_with_plumed

On Saturday, March 10, 2018 at 10:38:21 PM UTC-8, Conrad wrote:
>
> You would need to triple check!
>
> There is an interface.
>
> Activate it with the USE_PLUMED keyword:
>
> https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/FREE_ENERGY/METADYN.html#list_USE_PLUMED
> Then specify the path to your Plumed input file with PLUMED_INPUT_FILE:
>
> https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/FREE_ENERGY/METADYN.html#PLUMED_INPUT_FILE
>
> To set up the umbrella sampling, or any kind of free energy method with 
> Plumed, you set up your collective variable and sampling method in the 
> Plumed input file. 
> To do this, consult the Plumed manual:
> https://plumed.github.io/doc-v2.4/user-doc/html/index.html
> And the tutorials:
> https://plumed.github.io/doc-v2.4/user-doc/html/tutorials.html
>
> For general Plumed support, consult the Google group:
> https://groups.google.com/forum/#!forum/plumed-users
>
>
> Best wishes,
> Conrad
>
> On Saturday, 10 March 2018 05:55:11 UTC, Yuke Li wrote:
>>
>> I double check. there is no plumed interface for cp2k. 
>>
>> 在 2018年3月6日星期二 UTC+8下午12:26:32，Yingchun Zhang写道：
>>>
>>> plumed can be used to perform US
>>>
>>
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