[CP2K-user] [CP2K:21419] Constrain on collective variable

[bijaya pathak]

Dear all, 
I'm running a meta dynamics simulation on cp2k, my collective variable is 
distance(covalent bond  length). Previously , I've applied restrain on CV 
but those were intermolecular. In the present case my input file looks like 
follows: 

&CONSTRAINT
     &COLLECTIVE
       COLVAR  1
       TARGET [angstrom] 1.8
       &RESTRAINT
         K [kcalmol] 1000
       &END RESTRAINT
    &END COLLECTIVE
But it gives an *error*: 
"Constraint section error: you have to specify at least one of the 
following keywords: MOLECULE, MOLNAME or INTERMOLECULAR"

*MOLECULE {Integer}* 
*Specifies the index of the molecule kind (in input file order)on which the 
constraint will be applied. MOLECULE and MOLNAME keyword exclude themself 
mutually.* 
This keyword cannot be repeated and it expects precisely one integer.
*MOLNAME {Word}* 
*Specifies the name of the molecule on which the constraint will be 
applied.* 
This keyword cannot be repeated and it expects precisely one word. 

I do not understand what is meant my molecule kind in the input file . Can 
anyone help me with the issue ? I have tried various values for the keyword 
as per my understanding , but it gives error stating* index does not match.*
Any suggestions will be appreciated.
Thanking you 
Bijaya   

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