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EGO MMII

LMU München
Fakultät für Physik


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Impressum
(c) 2002 BMO

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:

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Letzte Änderung: Letzte Änderung: 1970-01-01 01:00