free energy profile calculation

Nitish Govindarajan gnitis... at gmail.com
Sat Nov 12 10:11:27 CET 2016


Hi Jie,
You can use the plumed sum_hills to create a FES. More info here: 
http://plumed.github.io/doc-v2.0/user-doc/html/sum_hills.html

On Tuesday, 8 November 2016 16:46:55 UTC+1, Jie Zhong wrote:
>
> Hi all,
>
> I am trying to get familiar with cp2k metadynamics method. I have finished 
> the calculation.
> I was told to use the restart file to plot free energy profile as function 
> of collective variable. How can I do it?
> The restart file has been attached.
> Any suggestion is appreciated.
>
> Best
> Jie
>
>
>
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