ATB Trajectory Repository Guide: Difference between revisions
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== File Format == | == File Format == | ||
Before the files can be uploaded to the repository, they must be arranged and named according to a specific convention. | |||
== How to Upload to the Repository == | == How to Upload to the Repository == |
Revision as of 23:21, 9 September 2020
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.