NAMD

{{#invoke:Infobox|infobox}}Template:Template other{{#invoke:Check for unknown parameters | check | showblankpositional=1 | unknown = Template:Main other | preview = Page using Template:Infobox software with unknown parameter "_VALUE_"|ignoreblank=y | AsOf | author | background | bodystyle | caption | collapsetext | collapsible | developer | discontinued | engine | engines | genre | included with | language | language count | language footnote | latest preview date | latest preview version | latest release date | latest release version | latest_preview_date | latest_preview_version | latest_release_date | latest_release_version | licence | license | logo | logo alt | logo caption | logo upright | logo size | logo title | logo_alt | logo_caption | logo_upright | logo_size | logo_title | middleware | module | name | operating system | operating_system | other_names | platform | programming language | programming_language | released | replaced_by | replaces | repo | screenshot | screenshot alt | screenshot upright | screenshot size | screenshot title | screenshot_alt | screenshot_upright | screenshot_size | screenshot_title | service_name | size | standard | title | ver layout | website | qid }}Template:Main other Nanoscale Molecular Dynamics (NAMD, formerly Not Another Molecular Dynamics Program)<ref>Template:Cite news</ref> is computer software for molecular dynamics simulation, written using the Charm++ parallel programming model (not to be confused with CHARMM). It is noted for its parallel efficiency and is often used to simulate large systems (millions of atoms).<ref>Template:Cite news</ref> It has been developed by the collaboration of the Theoretical and Computational Biophysics Group (TCB) and the Parallel Programming Laboratory (PPL) at the University of Illinois Urbana–Champaign.

It was introduced in 1995 by Nelson et al. as a parallel molecular dynamics code enabling interactive simulation by linking to the visualization code VMD. NAMD has since matured, adding many features and scaling beyond 500,000 processor cores.<ref>{{#invoke:citation/CS1|citation |CitationClass=web }}</ref>

NAMD has an interface to quantum chemistry packages ORCA and MOPAC, as well as a scripted interface to many other quantum packages.<ref>{{#invoke:citation/CS1|citation |CitationClass=web }}</ref> Together with Visual Molecular Dynamics (VMD) and QwikMD,<ref>Template:Cite journal</ref> NAMD's interface provides access to hybrid QM/MM simulations in an integrated, comprehensive, customizable, and easy-to-use suite.<ref>Template:Cite journal</ref>

NAMD is available as freeware for non-commercial use by individuals, academic institutions, and corporations for in-house business uses.

See also

• Charm++
• Comparison of software for molecular mechanics modeling

External links

• Template:Official website, at TCB website
• NAMD page at the PPL website
• NAMD on GPUs

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