[CP2K-user] The strange fraction of the studied molecules in metadynamic simulation

冬tlyer tsd19... at gmail.com
Fri Mar 26 02:33:06 UTC 2021

Dear users:
Here is my input file and ouptput structure. At the begining of the 
simulation, the AIMD fell reasonable, but As the simulation time 
increases,The molecular structure has broken down strangely. I don't know 
if it was an error in my input file. and maybe this is a normal results in 
metadynamic simuilation. if you have time to give me a advice, i would 
appreciate it.
Best regards
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