This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
Next revision
Previous revision
namd [2014/06/17 11:57]
— (current)
Line 1: Line 1:
-===== High-performance simulation of large bimolecular systems - NAMD ===== 
-NAMD, recipient of a 2002 Gordon Bell Award, is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD is file-compatible with AMBER, CHARMM, and X-PLOR and is distributed free of charge with source code. 
-Documentation and source code on the web page of "[[|Theoretical and computational biophysics group]]" 
-There are few possibilities to start NAMD simulation on the MOGON cluster. 
-//<PATH TO NAMD INSTALLATION>/namd2 <input configuration file>// 
-This starts one threaded simulation direkt on the login host. Input configuration file describes simulation. Complete description of the input file format is available in the [[|NAMD Documentation]]. 
-//<PATH TO NAMD INSTALLATION>/namd2 +p<number of processes> <input configuration file>// 
-allows to start the simulation using more than one thread. 
  • namd.1402999072.txt.gz
  • Last modified: 2014/06/17 11:57
  • by noskov