[CP2K-user] Constraining C-H bonds

[Abdullah Bin Faheem]

Greetings everyone,

I'm trying to run a simulation of 60 Acetonitrile molecules. As I want to 
constraint all C-H bonds I used the "&HBOND" command but the bond length 
still fluctuates between 1.08 and 1.11 A (Target: 1.0873). Is this not the 
right way? 

I have attached my input file.

Best Regards,
Abdullah 


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