md_build_clayff_spce_nacl_lammps
Generate an exact-count neutral quartz LAMMPS candidate using ClayFF, SPC/E, and Joung potentials for reliable molecular dynamics simulations.
Instructions
Generate an exact-count neutral quartz ClayFF/SPC/E/Joung LAMMPS candidate.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| dry_run | No | ||
| max_atoms | Yes | ||
| output_slot | Yes | ||
| input_sha256 | Yes | ||
| idempotency_key | Yes | ||
| clay_bonded_path | Yes | ||
| project_directory | Yes | ||
| clay_bonded_sha256 | Yes | ||
| confirmation_token | No | ||
| clay_nonbonded_path | Yes | ||
| packing_receipt_path | Yes | ||
| clay_nonbonded_sha256 | Yes | ||
| input_packed_structure | Yes | ||
| packing_receipt_sha256 | Yes | ||
| joung_cheatham_spce_path | Yes | ||
| authenticated_methods_path | Yes | ||
| joung_cheatham_spce_sha256 | Yes | ||
| supporting_information_path | Yes | ||
| authenticated_methods_sha256 | Yes | ||
| supporting_information_sha256 | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||