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EGO MMII
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This molecular dynamics package contains the following features: - periodic boundary conditions - Kirkwood reaction field - Fast structure adapted multipole expansion (FAMUSAMM) - QM/MM interface to density functional programm CPMD in progress: - QM/MM interface to excited states dynamics programm OM2/MRCI - Bernhard Egwolfs reaction field - polarizable force field More information on our molecular dynamics package EGO MMII soon on this page. Recent Publications on EGO: "'.strtr($TB[$i]["titel"],$trans).'"'; echo ' '. strtr($TB[$i]["autoren"],$trans).' '; echo ' '.strtr($TB[$i]["journal"],$trans).' ';
echo 'Details';
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