New Exploration
What have you got?
This sets what happens next. You can change it afterwards.
Where is it?
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.
Overview
Nothing to show
Simulation progress
| Current stage | — |
|---|---|
| Current step | — |
| Total planned steps | — |
| Frames written | — |
| Simulation time | — |
| Elapsed wall time | — |
| ETA | — |
| Checkpoint | — |
| Last update | — |
Mini molecular preview
Open full viewerUpdates automatically as the simulation progresses.
Live charts
Recent events
Live health classification will appear once telemetry has been written.
Stage timeline
- Setup
- Minimization
- NVT
- NPT
- Production
- Analysis
- Report
Phases
| Phase | Status | Detail |
|---|
Trajectory statistics
| Metric | Average | Std. dev. | Unit |
|---|
Molecular Viewer
Analysis
Report
Exploration completed
Citing FastMDXplora
Reference
__FASTMDX_CITATION__
DOI: __FASTMDX_DOI__ · version __FASTMDX_VERSION__
BibTeX
__FASTMDX_BIBTEX__
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.