ATB Trajectory Repository Guide

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The ATB Trajectory Repository

The repository is a long term archive for simulation input and output files. All the files input into the repository are searchable and can be scanned for metadata such as the temperature, time-step and molecular compounds. The published data can be used by others and the repository may eventually be used to automate trajectory analysis.

File Format

Before the files can be uploaded to the repository, they must be arranged and named according to a specific convention.

Directory structure 1.png Directory structure 2.png Directory structure 3.png Directory structure 4.png

How to Upload to the Repository