QuantumATK > General Questions and Answers

Questions about the functions of Molecular Dynamics

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mlee:
Sorry to reply lately.
I encountered the same problem with the attached ReaxFF.
Probably it seems not to fit in QuantumATK or your model may not suit on the attached ReaxFF.
Can you double check the all parameters including the space and empty lines? Sometimes typo makes this issues. 

shyoun:
Thank you for your advice.
Let me check it!

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