md_run_report
Analyze a GROMACS run directory to verify simulation health: RMSD verdicts, .xvg inventory, md.log crash scan, artifact checks, and an overall GO, FINISHED, INCOMPLETE, or CRASHED status.
Instructions
Analyze a GROMACS run directory: RMSD verdicts, other .xvg inventory, md.log crash scan, artifact presence, and an overall verdict (GO / FINISHED / INCOMPLETE / CRASHED). Optionally logs to the registry.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| log | No | ||
| run_dir | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |