[CP2K-user] [CP2K:19886] Umbrella Sampling using Cp2k

[bijaya pathak]

Dear all,
I'm trying to carry out umbrella sampling for a dimeric system. My 
collective variable is center of mass to center of mass distance. 
The COLVAR and CONSTRAINT section is as follows. I'm getting different 
error with different modifications. Can anyone suggest me how to correct it 
?
Thanks and Regards
Bijaya
&COLVAR
       &DISTANCE
        &POINT
          TYPE GEO_CENTER
          ATOMS 1 2 3 4 5 6 7 8 9 10 11 12
        &END
        &POINT
          TYPE GEO_CENTER
          ATOMS 13 14 15 16 17 18 19 20 21 22 23 24
        &END
         POINTS 1 2
        &END DISTANCE
 &END COLVAR
&CONSTRAINT
    &CONSTRAINT_INFO
      &EACH
        MD 1
      &END
    &END
    &COLLECTIVE
      COLVAR 1
      MOLECULE 1
      TARGET_GROWTH [angstrom] 0.01
      TARGET_LIMIT [angstrom] 1.50
      &RESTRAINT
        K [kjmol]  100.0
      &END
    &END
  &END

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