check
Validate GROMACS files for errors to ensure correct molecular dynamics simulations. Detects issues in structure and topology files.
Instructions
Check a GROMACS file with gmx check.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| workdir | Yes | ||
| extra_args | No | ||
| input_file | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||