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Support for Amber NetCDF Restart Files (.ncrst) #5030

@jeremyleung521

Description

@jeremyleung521

Hello, MDAnalysis Community!

Is your feature request related to a problem?

Amber NetCDF files come in two forms: lower-precision .nc files (mainly) for trajectory coordinates and higher precision .ncrst restart files for restarting a simulation (often with double precision forces, coordinates, and velocities). The current reader in MDAnalysis only reads the former.

Both of these variations are in the official spec list: https://ambermd.org/netcdf/nctraj.xhtml

Describe the solution you'd like

Allow MDAnalysis to read Amber .ncrst restart files.

Describe alternatives you've considered

N/A

Additional context

I was able to implement this via tweaking/rigging the current reader. I will be making a PR shortly. #5031

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