Ascalaph Quantum
Molecular modeling is the goal of our package. It is largely designed for classical molecular mechanics. In addition, Ascalaph Quantum provides interface to ab initio quantum mechanical package PC GAMESS.
PC GAMESS is not included into the package. According to the manufacturer's license, it cannot be included in other software packages and can be downloaded from the Laboratory of Chemical Cybernetics at Moscow State University. In order to install it in Ascalaph, unpack the downloaded file and transfer pcgamess.exe and DLLs to the Ascalaph/GAMESS folder.
