NAMD | ChemCompute: Free Computational Chemistry For Undergraduates

Instructions

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Molecules

1) PDB

Number

Simulation Settings

Box size / Å

No Solvent Explicit Waters (12656)

NVT (Constant Volume) NPT (Constant Pressure)

Temperature (K)

Minimization

Steps

Dynamics

Steps

Time Step (fs)

Cluster: Computer Cluster: auto jetstream2 (0.0 min queue)

Cores: Processor Cores:

1

Memory (Optional / Advanced): Memory (Advanced):

2 GB

Time Limit:

1 hour

Username Password

Result:

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