editconf
Define a simulation box around a molecular structure. Specify box type, distance, and centering options.
Instructions
Define a simulation box around a structure.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| center | No | ||
| output | No | box.gro | |
| workdir | Yes | ||
| box_type | No | cubic | |
| distance | No | ||
| structure | Yes | ||
| extra_args | No |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||