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Submit (Guided) Submit Your Own Files Results

Job Submission

Use a Premade File Yes No

Use a Premade File

Premade Files:

Minimization Yes No

Minimization

Tolerance:

Dynamics Yes No

Dynamics

System: Single Molecule Ensemble of Molecules

Simulation Control Mode: Constant Total Energy Value (E) Constant Temperature Via Thermostat (T)
Ensemble Type: Microcanonical (NVE) Canonical (NVT) Isoenthalpic-Isobaric (NPH) Isothermal-Isobaric (NPT)

Timestep Length / fs (minimum=1):
Number of Timesteps (maximum = 100000):
Coordinate Outputs Every / fs (minimum = 100)
Temperature / K:
Pressure / atm:

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