GROMACS Molecular Dynamics
Perform Molecular Dynamics using GROMACS framework, simulating many different solvent solute systems.
Overview
Perform Molecular Dynamics using GROMACS framework, simulating many different solvent solute systems. Simulate proteins and enzymes in different solutions.
Run GROMACS Molecular Dynamics on Neurosnap
The GROMACS Molecular Dynamics online webserver allows anybody with a Neurosnap account to run and access GROMACS Molecular Dynamics, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong Terms of Use and Privacy Policy.
Features
- Simulates a broad range of molecular systems.
- Returns many metrics including equilibration steps, RMSD, RMSF, Gyration Radius and more.
- Allows you to specify custom durations for your molecular dynamics simulation in nanoseconds.
- Simulation execution duration may range from hours to overnight. The time to job completion scales with the number of atoms and if the simulation is a protein-ligand interaction.
- Only available for paid users.
- Membranes and systems containing transition metals are not currently supported.
Statistics
Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.
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API Request
Access GROMACS Molecular Dynamics using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.
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Citations
Please cite the original work when using GROMACS Molecular Dynamics in publications or research outputs.
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Abraham, J. M. et al., GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers, https://www.sciencedirect.com/, September 2015, https://doi.org/10.1016/j.softx.2015.06.001. |
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Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/ |