[CP2K-user] Coordination number becoming negative

[Raghav]

Dear all,

            I am running a Metadynamics calculation and one collective 
variable (Coordination Number b/w two atoms) is going Negative in the 
*COLAVR* file. I far as I know coordination number is defined as    *CN =* *1 
- (r/R)**6    *and as per this definition when I calculated the 
coordination number myself it is not coming out to be negative for any 
                                                             *1 - (r/R)**12*

time but in the *colvar* file it is showing negative value. How is it 
possible? 

I have attached the COLVAR file and the plot of Coordination Number that I 
generated using above definition.

Thanks,
Raghav
                                                               
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