Molecular Modeling and Molecular Dynamics Simulation Workshop

Software

 

 

** MOLECULAR MECHANICS **

  • NAMD -- recipient of a 2002 Gordon Bell Award , is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, NAMD scales to hundreds of processors on high-end parallel platforms and tens of processors on commodity clusters using gigabit ethernet. NAMD is file-compatible with AMBER, CHARMM, and X-PLOR and is distributed free of charge with source code.
    taken from NAMD website: http://www.ks.uiuc.edu/Research/namd/
** MOLECULAR GRAPHICS**

  • VMD -- is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. VMD supports computers running MacOS-X, Unix, or Windows, is distributed free of charge, and includes source code.
    taken from VMD website: http://www.ks.uiuc.edu/Research/vmd/