By Dairui Chen, Jay Mashl, Derrick Kearney, Nahil Sobh, desmond soo chin yoong

Implementation of the popular molecular dynamics software suite GROMACS

Launch Tool

This tool version is unpublished and cannot be run. If you would like to have this version staged, you can put a request through HUB Support.

Archive Version 1.1
Published on 02 Jul 2008, unpublished on 02 Aug 2008 All versions

doi:10.4231/D3TT4FS5G cite this



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NanoGromacs is an interface for performing molecular dynamics (MD) simulations using Gromacs. Users can perform protein simulations by uploading their own structure file or running the 4 examples provided, and setting the run-time parameters. Snapshots of coordinates generated by the simulation can be visualized on the nanoHUB, and corresponding structure files can be downloaded and visualized locally, for example, with PyMOL. Several of the analysis programs from Gromacs are also provided.

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Biophysics & Computational Biology Group

University of Illinois at Urbana-Champaign

Cite this work

Researchers should cite this work as follows:

  • Dairui Chen; Jay Mashl; Derrick Kearney; Nahil Sobh; desmond soo chin yoong (2016), "NanoGromacsDemo," (DOI: 10.4231/D3TT4FS5G).

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