Support Options

Submit a Support Ticket

Home Tools Illinois Tools: NanoGromacs About

Illinois Tools: NanoGromacs

By Dairui Chen1, Derrick Kearney2, Jay Mashl1, Nahil Sobh1, Eric Jakobsson1

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

Implementation of the popular molecular dynamics software suite GROMACS

Launch Tool

You must login before you can run this tool.

Version 1.3.1a - published on 05 Feb 2015

doi:10.4231/D3PR7MV5N cite this

Open source: license | download

View All Supporting Documents



Published on


NanoGromacs is an interface for molecular dynamic simulation using Gromacs. It can perform lipid and protein simulations on user provided structures. The users can upload their own input structures, select corresponding force field files and set the run-time parameters. The simulation result structure can be visualized using PyMOL on the nanoHUB. The interface also can show the dynamic effect of the simulation process. The simulation result also can be analyzed by utilities from Gromacs. The users can also download the result pdb file then use their favorite visualization tool like VMD or RasMol to view it locally.

NanoGromacs simplifies the task of assembling the input files required. It ignores tedious command line execution of Gromacs. And it also provides users with visualization result and analysis tools.

Powered by



Biophysics & Computational Biology Group

University of Illinois at Urbana-Champaign

Cite this work

Researchers should cite this work as follows:

  • Dairui Chen; Derrick Kearney; Jay Mashl; Nahil Sobh; Eric Jakobsson (2015), "Illinois Tools: NanoGromacs," (DOI: 10.4231/D3PR7MV5N).

    BibTex | EndNote

Tags, 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.