[CP2K:431] Re: How make FES

Teodoro Laino teodor... at gmail.com
Sat Dec 1 00:36:06 CET 2007


On 1 Dec 2007, at 00:32, luca wrote:

>
> Hi teo,
> Ok. I have only a clarification
> I must have  the metadynamics trajectory and
> after i run fes program..
You need only have a restart file corresponding to a situation in  
which you think that
metadynamics explored enough the phase space (i.e. at the end of your  
metadynamics run)..

Obviously you can inspect the fes also while the metadynamics  runs  
using a corresponding restart file.

Teo.

> Is it all right?
>
> thanks
>  Luca
>

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