Next     Up     Previous     Contents    

Introduction


The program can be used to:

  • construct molecular models from fragments in different files;

  • build polymeric molecules from residues;

  • construct regular three-dimensional lattices and networks from molecules;

  • include solvent in the model;

  • save models in several formats;

  • specify the force field for the simulation;

  • define a protocol of the simulation including several steps;

  • start the simulation from the graphical interface or prepare files for manual execution of the console program;

  • monitor the dynamics process by visualizing molecular movements on a display or by plotting certain properties of the system;

  • generate tasks for parallel computing on clusters of workstations and supercomputers.

Next     Up     Previous     Contents    

Copyright 1996, 1999, 2005, 2007 by: Alexander Lyubartsev, Aatto Laaksonen, Alexey Nikitin.
Department of Physical Chemistry, Stockholm University.
All rights reserved.

Copyright 2006, 2007 Agile Molecule.
All rights reserved.