NanoGromacs_Intro

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

Implementation of the popular molecular dynamics software suite GROMACS

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Archive Version 1.2
Published on 02 Aug 2008, unpublished on 21 Aug 2008 All versions

doi:10.4231/D30C4SJ5J cite this

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Abstract

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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Gromacs

Credits

Biophysics & Computational Biology Group

University of Illinois at Urbana-Champaign

Cite this work

Researchers should cite this work as follows:

  • Dairui Chen; Jay Mashl; Nahil Sobh; desmond soo chin yoong (2016), "NanoGromacs_Intro," http://nanohub.org/resources/nanogromacsdemo. (DOI: 10.4231/D30C4SJ5J).

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