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NanoGromacs_Intro

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

1. University of Illinois at Urbana-Champaign

Implementation of the popular molecular dynamics software suite GROMACS

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Archive Version 1.4
Published on 21 Aug 2008
Latest version: 1.4.1. All versions

doi:10.4231/D30863514 cite this

This tool is closed source.

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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 nanoHUB.org, 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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nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.