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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
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nav.inc[abfrage], query:Delete from kurzzeitstatistik where TS<"1714159877"
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ERRNO: 0
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RESULT:
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ABORTED
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nav.inc[abfrage], query:INSERT INTO kurzzeitstatistik (Datei, Adresse, id, TS) VALUES ("", "3.20.238.187" , "" , "1714160477 " )
-------------------------------------------
ERRNO: 0
-------------------------------------------
RESULT:
-------------------------------------------
ABORTED
-------------------------------------------
-------------------------------------------
nav.inc[abfrage], query:INSERT INTO statistik (Datei, Adresse, id, TS, Laufzeit) VALUES ("", "3.20.238.187" , "" , "1714160477 ","" )
-------------------------------------------
ERRNO: 0
-------------------------------------------
RESULT:
-------------------------------------------
ABORTED
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