To install click the Add extension button. That's it.

The source code for the WIKI 2 extension is being checked by specialists of the Mozilla Foundation, Google, and Apple. You could also do it yourself at any point in time.

4,5
Kelly Slayton
Congratulations on this excellent venture… what a great idea!
Alexander Grigorievskiy
I use WIKI 2 every day and almost forgot how the original Wikipedia looks like.
Live Statistics
English Articles
Improved in 24 Hours
Added in 24 Hours
What we do. Every page goes through several hundred of perfecting techniques; in live mode. Quite the same Wikipedia. Just better.
.
Leo
Newton
Brights
Milds

From Wikipedia, the free encyclopedia

Nanoscale Molecular Dynamics
Developer(s)University of Illinois Urbana–Champaign: Theoretical and Computational Biophysics Group (TCB), Parallel Programming Laboratory (PPL)
Initial release1995; 28 years ago (1995)
Stable release
2.14 / August 5, 2020; 3 years ago (2020-08-05)
Repository
Written inC++
Operating systemCross-platform: Windows, Linux, macOS, Unix
Platformx86, x86-64
Available inEnglish
TypeMolecular dynamics simulation
LicenseProprietary, freeware for noncommercial use
Websitewww.ks.uiuc.edu/Research/namd

Nanoscale Molecular Dynamics (NAMD, formerly Not Another Molecular Dynamics Program)[1] 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).[2] 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.[3]

NAMD has an interface to quantum chemistry packages ORCA and MOPAC, as well as a scripted interface to many other quantum packages.[4] Together with Visual Molecular Dynamics (VMD) and QwikMD,[5] NAMD's interface provides access to hybrid QM/MM simulations in an integrated, comprehensive, customizable, and easy-to-use suite.[6]

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

YouTube Encyclopedic

  • 1/5
    Views:
    17 534
    21 649
    3 848
    27 534
    12 693
  • Intro to Running Molecular Dynamics Simulations with NAMD (links to each section in description)
  • VMD/NAMD Tutorial Part 1
  • NAMD installation Windows 10 | Setting environment variables | Turn on Captions (CC)
  • Molecular docking and MD simulation of Protein-ligand complex using NAMD and CHARMM-GUI server
  • NAMD Tutorial 1 - Protein Ligand Complex MD Part 1/5

Transcription

See also

References

  1. ^ "Flexibility and Interoperability in a Parallel Molecular Dynamics Code" (postscript).
  2. ^ "NAMD A Parallel Object-Oriented Molecular Dynamics Program" (PDF).
  3. ^ "NAMD: Scalable Molecular Dynamics". Theoretical and Computational Biophysics Group (TCB). University of Illinois Urbana-Champaign. Retrieved 1 August 2016.
  4. ^ "Hybrid QM/MM NAMD". Theoretical and Computational Biophysics Group (TCB). University of Illinois Urbana-Champaign. Retrieved 26 March 2018.
  5. ^ Ribeiro, João V.; Bernardi, Rafael C.; Rudack, Till; Stone, John E.; Phillips, James C.; Freddolino, Peter L.; Schulten, Klaus (2016). "QwikMD - Integrative Molecular Dynamics Toolkit for Novices and Experts". Scientific Reports. 6: 26536. Bibcode:2016NatSR...626536R. doi:10.1038/srep26536. PMC 4877583. PMID 27216779.
  6. ^ Melo, Marcelo C R.; Bernardi, Rafael C.; Rudack, Till; Scheurer, Maximilian; Riplinger, Christoph; Phillips, James C.; Maia, Julio D C.; Rocha, Gerd B.; Ribeiro, João V.; Stone, John E.; Neese, Frank; Schulten, Klaus; Luthey-Schulten, Zaida (2018). "NAMD goes quantum: an integrative suite for hybrid simulations". Nature Methods. 15 (5): 351–354. doi:10.1038/nmeth.4638. PMC 6095686. PMID 29578535.

External links


This page was last edited on 5 September 2023, at 21:35
Basis of this page is in Wikipedia. Text is available under the CC BY-SA 3.0 Unported License. Non-text media are available under their specified licenses. Wikipedia® is a registered trademark of the Wikimedia Foundation, Inc. WIKI 2 is an independent company and has no affiliation with Wikimedia Foundation.