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abalone [2012/06/15 07:26] niki |
abalone [2014/01/25 04:45] (current) |
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====== Abalone ====== | ====== Abalone ====== | ||
- | [[Abalone]] is a molecular mechanics program, which performed most of the examples. It supports the popular force fields such as [[AMBER]], [[OPLS]]. | + | [[http://www.biomolecular-modeling.com/Abalone/index.html|Abalone]] is a molecular mechanics program, which performed most of the examples. It supports the popular force fields such as [[AMBER]], [[OPLS]]. |
In addition, it has less accurate //by default// force field, which allows you to work with the substances without AMBER parameters. | In addition, it has less accurate //by default// force field, which allows you to work with the substances without AMBER parameters. | ||
- | It’s only necessary to establish the [[partial charges]] that can be done using the built-in quantum chemistry program [[NWChem]]. | + | It’s only necessary to establish the [[partial charges]] that can be done using the built-in quantum chemistry program [[http://www.nwchem-sw.org|NWChem]]. |