Software Eichinger GmbH

A Hybrid Method for Solutes in Complex Solvents: Density Functional Theory Combined with Empirical Force Fields

M. Eichinger, P. Tavan, J. Hutter and M. Parrinello
J. Chem. Phys., 110: 10452-10467, 1999

FAMUSAMM: A New Algorithm for Rapid Evaluation of Electrostatic Interactions in Molecular Dynamics Simulations

M. Eichinger, H. Grubmüller, H. Heller and P. Tavan
J. Comput. Chem., 18: 1729-1749, 1997

Berechnung molekularer Eigenschaften in komplexer Lösungsmittelumgebung: Dichtefunktionaltheorie kombiniert mit einem Molekularmechanik-Kraftfeld

M. Eichinger, Dissertation, 1999
Institut für Medizinische Optik, Fakultät für Physik, LMU München.

Paralleler schneller Multipolalgorithmus mit Mehrschrittverfahren für Molekulardynamiksimulationen

M. Eichinger, Diplomarbeit, 1995
Physik-Department, Technische Universität München, angefertigt am Institut für Medizinische Optik der LMU

EGO - An Efficient Molecular Dynamics Program and its Application to Protein Dynamics Simulations

M. Eichinger, H. Heller and H. Grubmüller
In R. Esser, P. Grassberger, J. Grotendorst and M. Lewerenz, edts,
Workshop on Molecular Dynamics on Parallel Computers,
John von Neumann Institute for Computing (NIC) Research Centre Jülich,
Germany, 8-10 Feb.1999, p.397-402, World Scientific, Singapore 912805 (2000).

Conformational Dynamics Simulations of Proteins

M. Eichinger, B. Heymann, H. Heller, H. Grubmüller and P. Tavan
In P. Deuflhard, J. Hermans, B. Leimkuhler, A. E. Mark, S. Reich, and R. D. Skeel, editors,
Lecture Notes in Computational Science and Engineering (Vol 4).
Computational Molecular Dynamics: Challenges, Methods, Ideas, p. 78-97, Springer (1998).

Structures and vibrational frequencies of the quinones in Rb. Sphaeroides derived by a combined density functional / molecular mechanics approach

M. Nonella, G. Mathias, M. Eichinger, and P. Tavan
J. Phys. Chem. B 107: 316-322 (2003)

Corresponding author: Marco Nonella

Influence of the Heme Pocket Conformation on the Structure and Vibrations of the Fe-CO Bond in Myoglobin. A QM/MM Density Functional Study

C. Rovira, B. Schulze, M. Eichinger, J.D. Evanseck and M. Parrinello
Biophys. J, 81:435 - 445, 2000

Corresponding author: Carme Rovira

User Manual for EGO_VIII - Release 2.0

M. Eichinger, H. Grubmüller and H. Heller
Theoretical Biophysics Group, Institute for Medical Optics,
Ludwig Maximilians University, Munich, Germany, August 1995.

Online-Version

Fast Molecular Dynamics Simulation on a Parsytec PowerXplorer System

M. Eichinger, H. Grubmüller, H. Heller and P. Tavan
User report,
Heinrich-Heine-Universität, Universitätsrechenzentrum / Parsytec Computer GmbH,
Universitätsstr., 40225 Düsseldorf, Germany, June 1995.

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