OpenFreeEnergy / OpenFreeEnergy/openfe
MD trajectory (when using the PlainMDProtocol) does not write final frame
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- Dominant language
- Python
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- 3d 9h
- Merged PRs (30d)
- 13
Description
Just triaging this, but it looks like our trajectories don't write the final frame (something which I expect coming from GROMACS and AMBER-land).
It might be that we need to manually force writing the final frame to the XTC.
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