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NAMD

Category | Version | Author | Description
Program on:altix | inQuiry | pcluster | rcluster,IOB

Category(ies): Computational Chemistry

Version: 2.6b2

Author / Distributor: The NAMD License Agreement specifies that any reports or published results obtained with NAMD shall acknowledge its use and credit the developers as:

"NAMD was developed by the Theoretical and Computational Biophysics Group in the Beckman Institute for Advanced Science and Technology at the University of Illinois at Urbana-Champaign."

Any published work which utilizes NAMD shall include the following reference:

James C. Phillips, Rosemary Braun, Wei Wang, James Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant Kale, and Klaus Schulten. Scalable molecular dynamics with NAMD. Journal of Computational Chemistry, 26:1781-1802, 2005.

Electronic documents shall include a direct link to the official NAMD page: http://www.ks.uiuc.edu/Research/namd/

The above link also provides a list of other relevant references.

Description:

NAMD is a scalable molecular dynamics code designed for high-performance simulation of large biomolecular systems.

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altix: not available on altix

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inQuiry: not available at inQuiry

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pcluster: Running Program | Documentation | Installation | System

Running Program:

The binaries are installed in /usr/local/NAMD/

Documentation:

• See http://www.ks.uiuc.edu/Research/namd/

Installation:

• Installed in /usr/local/NAMD/, a directory that is on users path.
• NAMD version 2.6b1 is installed in /usr/local/NAMD_2.6b1_AIX-POWER-MPI/
• Compiled with MPI libraries.

System: Unix (AIX)

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rcluster,IOB: Running Program | Documentation | Installation | System

Running Program:

The binaries are installed in /usr/local/NAMD/

Documentation:

• See http://www.ks.uiuc.edu/Research/namd/

Installation:

• Installed in /usr/local/NAMD/, a directory that is on users path.

System: 64-bit Linux

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