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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. |