NAMD 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.
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ESPResSo
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LAMMPS
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.
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Pricing
Pricing Starts At:
Free
Free Version:
Yes
Integrations
No Integrations at this time
Company Details
Company:
Theoretical and Computational Biophysics Group
Year Founded:
2006
Headquarters:
United States
Website:
www.ks.uiuc.edu/Research//namd/
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Product Details
Platforms
Windows
Mac
Linux
Types of Training
Training Docs
Customer Support
Online Support
NAMD Features and Options
NAMD User Reviews
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