GROMACS Description
GROMACS is an open-source software suite that excels in high-performance molecular dynamics and analysis of outputs. This adaptable tool is capable of simulating the Newtonian equations of motion for systems ranging from hundreds to millions of particles, emphasizing materials modeling, biomolecular simulations, and particle-based systems. Although GROMACS is primarily aimed at biochemical molecules like proteins, lipids, and nucleic acids—which often exhibit complex bonded interactions—its remarkable speed in computing nonbonded interactions renders it beneficial for studying non-biological systems, including polymers. The software is capable of modeling particle ensembles in various states, including liquid, solid, and gas, and it accommodates a diverse array of molecular dynamics workflows, from fundamental energy minimization and equilibration to in-depth production simulations and trajectory analysis. Furthermore, GROMACS continues to evolve, incorporating new features and enhancements that broaden its applicability across different scientific disciplines.
GROMACS Alternatives
SPEC Innovations’ leading model-based systems engineering solution is designed to help your team minimize time-to-market, reduce costs, and mitigate risks, even with the most complex systems. Available as both a cloud-based and on-premise application, it offers an intuitive graphical user interface accessible through any modern web browser.
Innoslate's comprehensive lifecycle capabilities include:
• Requirements Management
• Document Management
• System Modeling
• Discrete Event Simulation
• Monte Carlo Simulation
• DoDAF Models and Views
• Database Management
• Test Management with detailed reports, status updates, results, and more
• Real-Time Collaboration
And much more.
Learn more
Smart, efficient, anonymous People Counters & Analytics to the real world.
Our solution allows for easy deployment, capture, analysis, and reporting of the number people who enter a physical place. Optionally, we can also capture and report occupancy in real time.
We assist Retailers, Universities, Casinos, Places of Worship, Office Buildings, and other industries in analyzing and taking action on their people traffic trends.
We offer a special package for retailers to measure performance on traffic, including conversion rate and service levels. Our direct integrations make it easy to combine POS data with staff data. The Retail Equation simulator lets users run simulations to improve sales. It can also be used as a learning tool to understand how traffic, staffing, conversion rates, and quality service relate.
Learn more
SYNTHIA Retrosynthesis Software
SYNTHIA™ Retrosynthesis software, developed by computer scientists and coded by chemists, allows scientists to quickly and easily navigate novel and innovative pathways for novel and previously published target molecules.
You can quickly and efficiently scan hundreds pathways to identify the best options for your needs.
Discover the most cost-effective route to your target molecule with the latest visualization and filtering features.
You can easily customize the search parameters to eliminate or highlight reactions, reagents, or classes of molecules.
Explore innovative and unique syntheses to build your desired molecule.
Easy to generate a list for starting materials that are commercially available for your synthesis.
ISO/IEC 27001 Information Security Certification will guarantee the confidentiality, integrity and protection of your data.
Learn more
ESPResSo
ESPResSo, which stands for the Extensible Simulation Package for Research on Soft Matter, is a flexible and open-source simulation tool designed for executing and analyzing molecular dynamics and Monte Carlo simulations involving multiple particles. This package serves as a comprehensive resource for modeling a diverse range of soft matter systems, with a particular focus on coarse-grained atomistic or bead-spring models that find applications in fields such as physics, chemistry, molecular biology, and engineering processes. Users can leverage ESPResSo to simulate various phenomena, including polymers, liquid crystals, colloids, polyelectrolytes, ferrofluids, gels, biological systems, DNA structures, lipid membranes, bacterial movements, and even super-capacitors. By employing coarse-grained models, where clusters of atoms or molecules are simplified into single beads, researchers can explore significantly larger time and length scales that would be unfeasible with purely atomistic approaches. Furthermore, ESPResSo enables the execution of classical molecular dynamics simulations across multiple statistical ensembles, enhancing its versatility in scientific research. This capability allows scientists to tackle complex problems in soft matter physics more efficiently and effectively.
Learn more
Pricing
Pricing Starts At:
Free
Free Version:
Yes
Integrations
No Integrations at this time
Company Details
Company:
GROMACS
Headquarters:
United States
Website:
www.gromacs.org
Media
Recommended Products
MongoDB Atlas runs apps anywhere
MongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.
Product Details
Platforms
Windows
Mac
Linux
Types of Training
Training Docs
Webinars
Customer Support
Online Support
GROMACS Features and Options
GROMACS User Reviews
Write a Review- Previous
- Next
