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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.

Description

NAMD is a high-performance parallel molecular dynamics software specifically developed for the simulation of extensive biomolecular systems. Utilizing Charm++ parallel objects, it effectively scales from personal computing devices to advanced parallel systems, accommodating hundreds of cores for standard simulations and exceeding 500,000 cores for the most demanding cases. This software is tailored for researchers aiming to perform efficient simulations of large molecular systems while ensuring integration with commonly utilized molecular modeling workflows. It collaborates with the well-known molecular graphics tool VMD for both simulation setup and trajectory analysis, maintaining compatibility with file formats from AMBER, CHARMM, and X-PLOR. Furthermore, it is engineered to facilitate biomolecular simulations that encompass proteins, membranes, nucleic acids, solvents, ions, and other molecular systems, allowing for an in-depth exploration of atomic interactions and time-dependent movements. Researchers can therefore rely on NAMD to provide comprehensive insights into complex molecular dynamics.

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

LAMMPS

Country

United States

Website

www.lammps.org

Vendor Details

Company Name

Theoretical and Computational Biophysics Group

Founded

2006

Country

United States

Website

www.ks.uiuc.edu/Research//namd/

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