[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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