[gmx-users] Running simulation differences

Gonzalez Fernandez, Cristina cristina.gonzalezfdez at unican.es
Mon Dec 17 15:53:34 CET 2018

Dear Gromacs users,

I have tried to run twice the same simulation (same .tpr input file) in the same workstation, but the results I obtain significantly differ, for example: (-276.96 ± 40.7  kj/mol) and (-257.25  ± 35.86 kj/mol). Are these differences normal?
As these results are different, how do I know which one is the valid?

Thank you in advance,

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