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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.

Description

LAMMPS, which stands for Large-scale Atomic/Molecular Massively Parallel Simulator, is a powerful molecular dynamics software tailored for materials modeling. It has the capability to simulate various particle ensembles across liquid, solid, and gas phases, accommodating a diverse range of systems including atomic, polymeric, biological, solid-state, granular, coarse-grained, mesoscopic, and macroscopic forms by utilizing numerous interatomic potentials, force fields, and boundary conditions. Designed for two or three-dimensional simulations, LAMMPS can handle systems ranging from a handful of particles to billions, ensuring efficient performance on parallel computing architectures while also being user-friendly for modifications and extensions. The software incorporates potentials that cater to solid-state materials like metals and semiconductors, soft matter such as biomolecules and polymers, as well as coarse-grained or mesoscopic systems. Additionally, it serves as a versatile tool for modeling atomic interactions or, more broadly, as a parallel particle simulator applicable across atomic, meso, or continuum scales, making it a valuable resource in computational materials science.

API Access

Has API

API Access

Has API

Screenshots View All

Screenshots View All

Integrations

No details available.

Integrations

No details available.

Pricing Details

Free
Free Trial
Free Version

Pricing Details

Free
Free Trial
Free Version

Deployment

Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook

Deployment

Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook

Customer Support

Business Hours
Live Rep (24/7)
Online Support

Customer Support

Business Hours
Live Rep (24/7)
Online Support

Types of Training

Training Docs
Webinars
Live Training (Online)
In Person

Types of Training

Training Docs
Webinars
Live Training (Online)
In Person

Vendor Details

Company Name

GROMACS

Country

United States

Website

www.gromacs.org

Vendor Details

Company Name

LAMMPS

Country

United States

Website

www.lammps.org

Alternatives

Alternatives

NAMD Reviews

NAMD

Theoretical and Computational Biophysics Group
MFiX Reviews

MFiX

National Energy Technology Laboratory