MDAReporter, when reporting H5MD, has no way to leave the forces or velocities out

sef43 / openmm-mdanalysis-reporter

MIT License

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MDAReporter, when reporting H5MD, has no way to leave the forces or velocities out #6

Closed orionarcher closed 7 months ago

orionarcher commented 7 months ago

Is your feature request related to a problem?

Forces and velocities are space intensive and not always needed. There should be a way to pass force=False and velocity=False to the H5MDWriter when writing out H5MD files.