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. It’s only necessary to establish the partial charges that can be done using the built-in quantum chemistry program NWChem.

abalone.txt · Last modified: 2014/01/25 04:45 (external edit)
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