POPC Bilayer Molecular Dynamics Trajectories at Two System Sizes

DCD trajectory files from two molecular dynamics simulations of aqueous POPC lipid bilayers. The simulations include a 72-lipid system run for 400 nanoseconds and a 648-lipid system run for 200 nanoseconds, with frames spaced at 25 picoseconds. The data was generated by Richard M. Venable and colleagues at the National Heart Lung and Blood Institute, supporting the 2015 publication 'Mechanical properties of lipid bilayers from molecular dynamics simulation'.

Use Cases

• Analyzing membrane mechanical properties based on the simulation trajectories described.
• Validating molecular dynamics force fields based on the CHARMM C36 parameters used.
• Studying lipid bilayer dynamics and structure based on the two system sizes provided.

Strengths

• Simulation trajectories for two distinct system sizes (72 and 648 lipids).
• Specific simulation durations are provided (400 ns and 200 ns).
• Frame spacing is explicitly stated (25 ps).

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Last update date is unknown; freshness unverified.

Provenance

Source

National Heart Lung and Blood Institute

Collection Method

Molecular dynamics simulations run with CHARMM using C36 parameters.