jdrusso / msm_we

History-augmented Markov analysis of weighted ensemble trajectories.
https://msm-we.readthedocs.io
MIT License
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Don't assume west.cfg filename #36

Open jdrusso opened 1 year ago

jdrusso commented 1 year ago

In prepare_extension_run(), the restart_driver assumes the west config file is named west.cfg. This is not necessarily true, if WESTPA was run with the -r argument pointing to a differently-named file. This can probably be obtained from westpa.rc somewhere?