write_nvt_mdp
Generates a conservative NVT equilibration MDP template for GROMACS simulations, with configurable parameters for temperature coupling and simulation length.
Instructions
Write a conservative NVT equilibration MDP template.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| dt | No | ||
| ref_t | No | ||
| tau_t | No | ||
| nsteps | No | ||
| tcoupl | No | V-rescale | |
| workdir | Yes | ||
| filename | No | nvt.mdp |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||