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GROMACS MetaDump Repository

In this repository we present the source code of GROMACS MetaDump.

Tool availability

Web

Available at https://gmd.ceitec.cz, where it is possible to obtain metadata after uploading a TPR file without need to install or run local scripts.

CLI

See the cli folder of this repository.

Calling API

See the manual.

Authors

License

BSD 3-Clause License, see LICENSE file

Copyright (c) 2025, Masaryk University. All rights reserved.

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A tool to describe GROMACS molecular dynamics simulations with powerful metadata.

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