energy
Extracts a specified energy term from a GROMACS energy file (EDR) using the gmx energy command. Accepts options for selection and output file.
Instructions
Extract an energy term from an EDR file with gmx energy.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| output | No | energy.xvg | |
| workdir | Yes | ||
| selection | No | Potential | |
| extra_args | No | ||
| energy_file | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||