sasa
Calculate solvent-accessible surface area from GROMACS trajectory and topology files.
Instructions
Calculate solvent-accessible surface area with gmx sasa.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| tpr | Yes | ||
| output | No | sasa.xvg | |
| workdir | Yes | ||
| extra_args | No | ||
| trajectory | Yes | ||
| output_group | No | Protein | |
| surface_group | No | Protein |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||