rmsf
Compute per-atom root-mean-square fluctuation (RMSF) across a molecular dynamics trajectory, returning values in Angstroms for selected atoms including min, max, and mean.
Instructions
Per-atom root-mean-square fluctuation (RMSF) across a trajectory.
Returns one row per selected atom plus min/max/mean RMSF in Angstrom. Use
selections such as "protein and name CA" for compact per-residue traces.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| selection | No | protein and name CA | |
| structure | Yes | ||
| trajectory | Yes |