rms
Computes root-mean-square deviation (RMSD) between trajectory frames and a reference structure to quantify conformational changes.
Instructions
Calculate RMSD with gmx rms.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| tpr | Yes | ||
| output | No | rmsd.xvg | |
| workdir | Yes | ||
| fit_group | No | Backbone | |
| extra_args | No | ||
| trajectory | Yes | ||
| output_group | No | Backbone |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||