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ascalaph [2012/06/15 07:42]
niki
ascalaph [2014/01/25 04:45] (current)
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 ====== Ascalaph ====== ====== Ascalaph ======
  
-[[http://www.biomolecular-modeling.com/Ascalaph/index.html|Ascalaph]] is a graphic package for molecular mechanics. It is integrated with several packages of quantum chemistry ([[NWChem]], [[Firefly]] and [[CP2K]]) +[[http://www.biomolecular-modeling.com/Ascalaph/index.html|Ascalaph]] is a graphic package for molecular mechanics. It is integrated with several packages of quantum chemistry ([[http://www.nwchem-sw.org|NWChem]], [[Firefly]] and [[CP2K]]) 
 and molecular dynamics package [[MDynaMix]], which runs on clusters of computers.  and molecular dynamics package [[MDynaMix]], which runs on clusters of computers. 
 In Ascalaph convenient to prepare the initial tacks and make preliminary calculations. When a task is ready, it can be automatically converted to MDynaMix format. In Ascalaph convenient to prepare the initial tacks and make preliminary calculations. When a task is ready, it can be automatically converted to MDynaMix format.
ascalaph.1339767730.txt.gz · Last modified: 2014/01/25 04:45 (external edit)
 
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