[CP2K:2415] error in METADYN output
Teodoro Laino
teodor... at gmail.com
Tue Nov 24 09:54:27 UTC 2009
Thanks!
Teo
Liu wrote:
> Hi all,
>
> with the input:
> NT_HILLS 30
> WW 1.0E-3
> &METAVAR
> SCALE 0.05
> COLVAR 1
> &END METAVAR
> &METAVAR
> SCALE 0.05
> COLVAR 2
> &END METAVAR
>
> I got the ouput as the following,
> METADYN| Width of the Spawned
> Gaussian 0.001
> METADYN| Number of collective
> variables 2
>
> ----------------------------------------------------------------------
> METAVARS| Collective Variable
> Number 1
> METAVARS| Scaling
> factor 0.050000
>
> ----------------------------------------------------------------------
> and in the hill-file,
> 1385.0 1.89785 0.03759 0.05000 0.05000
> 0.00100
>
>
> WW is the height. It was written to "Width".
>
>
> Liu
>
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