Illinois Tools: NanoGromacs_Intro

By Dairui Chen1, Jay Mashl1, Nahil Sobh1, Eric Jakobsson1

1. University of Illinois at Urbana-Champaign

Implementation of the popular molecular dynamics software suite GROMACS

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Version 1.4.1b - published on 29 Mar 2016

doi:10.4231/D3WM13V5N 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, Nahil Sobh, Eric Jakobsson (2016), "Illinois Tools: NanoGromacs_Intro," (DOI: 10.21981/D3WM13V5N).

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