Running in higher version of gromacs

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1

GROMACS version:
GROMACS modification: Yes/No
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I have generated my run input files in my desktop using gromacs version 2019. Now I would like to submit mdrun jobs in a cluster where gromacs-2019.3 is installed. Will I be able to analyze the results of my simulation using version gromacs-2019 again? As I have seen that in several cases if the output files generated using a higher version, can not be analysed using a lower version of gromacs. For example if I try to dump the checkpoint file generated using gromacs-2019.3, using gromacs-2018.6/gmx dump -cp, gromacs reports an error.

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Hi mjm91,

It should be fine as long as you stay within GROMACS2019. The different version numbers (2019.1, 2019.2,…) there denote bug-fixes, we do not allow major changes within a version.

3

Dear cblau, thank you for the information.