Is PLUMED required for metadynamics calculation in CP2K?

William Tao ywta... at gmail.com
Mon Mar 20 20:44:22 UTC 2017


Marcella,

Thank you for your answer. It helps a lot.

William

在 2017年3月20日星期一 UTC-5上午5:24:36,Marcella Iannuzzi写道:
>
> Hi William,
>
> if you want to use metadynamics through PLUMED, you need to include it.
> Otherwise, cp2k has its own metadynamics that does not need PLUMED.
> regards
> Marcella
>
> On Monday, March 20, 2017 at 1:35:04 AM UTC+1, William Tao wrote:
>>
>> Hello world,
>>
>> I am not quite sure whether PLUMED is required in the compilation process 
>> if I want to do metadynamics calculations in CP2K 4.1. 
>>
>> Does anybody have an idea?
>>
>> Thank you.
>>
>> William
>>
>
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