Builder
What have you got?
This sets what happens next. You can change it afterwards.
What should happen?
Each of these can be left out. A run that only analyses is a run with one of them ticked.
Anything to change?
Every setting has a default that works. These are here for when it does not.
Run it here, or take it with you
The same file either way. A laptop is a poor place to run a long simulation; a cluster is a poor place to decide what to run.
Nothing running
Live health classification will appear once telemetry has been written.
- Simulation time
- —
- Frames written
- —
- Wall time
- —
- Checkpoint
- —
- Last update
- —
Live charts
Phases
| Phase | Status | Detail |
|---|
Trajectory statistics
| Metric | Average | Std. dev. | Unit |
|---|
Molecular Viewer
Analysis
Report
No report yet. The report phase writes one at the end of a run.
Files
Exploration completed
Citing FastMDXplora
Reference
__FASTMDX_CITATION__
DOI: __FASTMDX_DOI__ · version __FASTMDX_VERSION__
BibTeX
__FASTMDX_BIBTEX__
Agent
Open in the builder to change it first.
Settings
Viewer
Dashboard
Exploration display
These preferences affect only how the dashboard renders this run. They do not modify the OpenMM simulation or any output files.