hbond
Calculate hydrogen bonds between two groups from a trajectory and topology file.
Instructions
Calculate hydrogen bonds with gmx hbond.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| tpr | Yes | ||
| output | No | hbond.xvg | |
| group_a | No | Protein | |
| group_b | No | Water | |
| workdir | Yes | ||
| extra_args | No | ||
| trajectory | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||