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NanoGromacsDemo

By Dairui Chen1, Jay Mashl1, Derrick Kearney2, Nahil Sobh1, desmond soo chin yoong1

1. University of Illinois at Urbana-Champaign 2. Purdue University

Implementation of the popular molecular dynamics software suite GROMACS

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Archive Version 1.1
Published on 02 Jul 2008, unpublished on 02 Aug 2008
Latest version: 1.4.1. All versions

doi:10.4231/D3TT4FS5G 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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