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RASPA => Output files => Topic started by: had-sham on October 26, 2025, 03:52:21 PM

Title: RDFs output folder in MD simulations
Post by: had-sham on October 26, 2025, 03:52:21 PM
Hello,
When running molecular dynamics simulations, are the radial distribution function (RDF) results averaged over all frames from the entire production trajectory, or do they only represent the final configuration?

I want to know if the RDF outputs give me time-averaged structural information or just a single snapshot at the end of the simulation.

Thank you for clarifying.