Molecular modeling with Ascalaph
Ascalaph is a general purpose molecular modeling suite that performs quantum mechanics calculations for initial molecular model development, molecular mechanics and dynamics calculations in the gas or in condensed phase. It can interact with external molecular modeling packages (MDynaMix, NWChem, CP2K and PC GAMESS/Firefly).
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Biomolecular simulations with Abalone
Abalone is designed for macromolecular simulations (proteins, DNA). It supports both explicit and implicit solvent models. In contrast to Ascalaph, Abalone includes only methods for molecular mechanics modeling of macromolecules; it is easy to install; and it requires no external programs.
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