GROMACS modification: Yes
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Hi, my cluster admin team installed gromacs 2021 so I switched a lot of trajectories over to that version of gromacs expecting a performance increase. However, I appear to be getting a 75% performance hit. I will be contacting support about this but it could take them some time to fix the issue. In the mean time is there any way I can rescue these trajectories and continue them in gmx 2020 using the .cpt file generated by gmx 2021 or do I need to reinitialize the velocities?
Attempting to read a checkpoint file of version 22 with code of version 21