[CP2K-user] want to print distance between 2 atoms, during MTD run

Yang Liu 3304... at qq.com
Thu Oct 10 08:27:46 UTC 2019

dear CP2K users,

  recently I'm learning metadynamics, during MTD run, I used CN of 2 atoms 
as CV, now I want to print the distance between these 2 atoms, how can I do 
it? here's my input about print, could you please help me correct it? and 
where can I find this distance data after MTD run?

    STEPS  500000
    TIMESTEP 0.8
    TEMPERATURE 1173.0
    TEMP_TOL   100

        MD 1
        MD 1
      DISTANCE 55 79

  thank you so much!

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