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POST
/
submit
/
job
Submit Job
curl --request POST \
  --url https://98i2es6mi4.execute-api.us-west-2.amazonaws.com/prod/submit/job \
  --header 'Content-Type: application/json' \
  --header 'x-api-key: <api-key>' \
  --data '
{
  "box_id": "<string>",
  "batch_index": 1,
  "batch_name": "<string>",
  "equilibration": [
    {
      "traj_freq": 1,
      "time": 1,
      "log_freq": 1,
      "type": "NPT",
      "restraint_force": 1,
      "restraint_mask": "<string>"
    }
  ],
  "production": {
    "traj_freq": 1,
    "time": 1,
    "log_freq": 1,
    "type": "NPT"
  },
  "temperature": 1,
  "pressure": 1,
  "surface_tension": 1,
  "friction": 1,
  "integration_timestep": 1,
  "ewald_error_tolerance": 1,
  "non_bonded_cutoff": 1,
  "minimization_steps": 1,
  "trajectory_output_format": "dcd"
}
'
{
  "detail": [
    {
      "loc": [
        "<string>"
      ],
      "msg": "<string>",
      "type": "<string>"
    }
  ]
}

Authorizations

x-api-key
string
header
required

Body

application/json
box_id
string

Associated system/box id

Minimum string length: 1
batch_index
integer | null

Index of this job in the batch

Required range: x >= 0
batch_name
string | null

Human-friendly batch name

equilibration
EquilibrationStep · object[] | null

Equilibration stages to run before production

production
ProductionParams · object

Production simulation parameters

temperature
number | null

Temperature (K)

Required range: x >= 0
pressure
number | null

Pressure (bar)

Required range: x >= 0
surface_tension
number | null

Surface tension (bar·nm)

Required range: x >= 0
friction
number | null

Friction coefficient (ps⁻¹)

Required range: x >= 0
integration_timestep
number | null

Time step (fs)

Required range: x > 0
ewald_error_tolerance
number | null

PME/Ewald error tolerance

Required range: x > 0
non_bonded_cutoff
number | null

Non-bonded cutoff (nm)

Required range: x > 0
minimization_steps
integer | null

Energy minimization steps

Required range: x >= 0
trajectory_output_format
enum<string> | null

e.g., 'dcd'

Available options:
dcd

Response

Successful Response