collective variable range in graph.popt

[David Chen]

Dear Raghav
      you can find some useful information in cp2k-5.1/src/metadyn_tools, 
good luck!

在 2018年7月7日星期六 UTC+8上午10:46:23，Raghav写道：
>
> Dear cp2k users,
>
>                         I am creating free energy surface for a 
> metadynamics run using *graph.popt* tool but I dont know how to change 
> the range of the collective variables in the fes.dat file? I am using *graph.popt 
> -cp2k -ndim 2 -ndw 1 2 -file glucose-1.restart* for generating fes.dat 
> file but it takes the range of (0.000 , 0.217) for CV1 and (0.000 , 0.756) 
> for CV2 automatically. How can I change the range to (0.000 , 0.02) for CV1 
> and (0.000 , 0.02) for CV2 ?
>
> Thanks and regards
> Raghav
>
>
>
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