Variation in different gromacs version

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1

Hi,

I want to run a Molecular Dynamics simulation associated with the same study across multiple systems, but one system has GROMACS 2023.1 installed, and the other has GROMACS 2025.3 installed.

Now, is it justified to use two different GROMACS versions?

How much difference does it create in the MD simulation?

Is there a minimal difference that we can safely ignore?

Please provide your valuable suggestions.

2

There should be no systematic difference between GROMACS versions, at least for the past five or so years. The only things that could cause systematically different results are bugs, but those can be present in both older and newer versions. So you can mix versions.

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3

Thanks @hess