[CP2K-user] [CP2K:18637] Time for MD simulation

[Amrish S]

Hello everyone,
      I am new to cp2k. I have tried a tutorial (QMMM for biochemical 
systems) that's given in the cp2k  HOWTOs. In that metadynamics input file, 
the time for the MD simulation is given as 30 ps for that the activation 
energy is around -34 kcal/mol. Then I increased the time steps to 40 ps 
that the activation energy is around -37 kcal/mol. I don't know which is 
correct. But in tutorial it has mentioned that the activation energy is 
around -35 kcal/mol. But for me it changes each time when I increased the 
time steps. Could anyone say in what basis the time steps should be set. 

( Tutorial : https://www.cp2k.org/howto:biochem_qmmm )

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