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nanogromacs_Intro.

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Usage Stats
Overall Period: Updated 14 Oct, 2008
Users: 50
Jobs: 322
Avg. exec. time: 17 mins
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Avg. Review: 0.0 out of 5 stars
Citations: 0

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Version 2.1 - published on 09 Sep, 2008
Contributor(s) Dairui Chen
University of Illinois, Urbana-Champaign

Derrick Kearney
Purdue University, West Lafayette

Jay Mashl, Nahil Sobh, Eric Jakobsson
University of Illinois, Urbana-Champaign
At a glance Implementation of the popular molecular dynamics software suite GROMACS
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  • Screenshot #1
Description

NanoGromacs is an interface for performing molecular dynamics (MD) simulations using Gromacs. NanoGromacs simplifies the task of assembling the input files required. Users can perform lipid and protein simulations by uploading their own structure file, selecting a corresponding force field, 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

If you reference this work in a publication, please cite as follows:

  • Chen, Dairui; Kearney, Derrick; Mashl, Jay; Sobh, Nahil; Jakobsson, Eric (2008), "nanogromacs_Intro.," doi: 10254/nanohub-r2935.3.

    BibTex | EndNote

In addition, we would appreciate it if you would add the following acknowledgment to your publication:

  • Simulation services for results presented here were provided by the Network for Computational Nanotechnology (NCN) at nanoHUB.org
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