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The Sigma MD Program and a Generic Interface Applicable to Multi-Functional Programs with Complex, Hierarchical Command Structure

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Computational Methods for Macromolecules: Challenges and Applications

Part of the book series: Lecture Notes in Computational Science and Engineering ((LNCSE,volume 24))

Abstract

This article summarizes the Sigma program for molecular dynamics simulation and describes a generic web browser-based interface (“WASP”) applicable to programs with complex, hierarchical command structures. Use of the interface is illustrated with its application to the Sigma program (“Wigma”).

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Author information

Authors and Affiliations

  1. Department of Biochemistry and Biophysics, School of Medicine, University of North Carolina, Chapel Hill, North Carolina, USA

    Geoff Mann, R. H. Yun & Jan Hermans

  2. Department of Computer Science, University of North Carolina, Chapel Hill, North Carolina, USA

    Lars Nyland & Jan Prins

  3. Department of Electrical Engineering, Duke University, Durham, North Carolina, USA

    John Board

Authors
  1. Geoff Mann
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  2. R. H. Yun
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  3. Lars Nyland
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  4. Jan Prins
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  5. John Board
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  6. Jan Hermans
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Corresponding author

Correspondence to Jan Hermans .

Editor information

Editors and Affiliations

  1. Department of Chemistry, Courant Institute of Mathematical Sciences, New York University, 251 Mercer Street, New York, NY, 10012, USA

    Tamar Schlick  & Hin Hark Gan  & 

  2. Howard Hughes Medical Institute, 251 Mercer Street, New York, NY, 10012, USA

    Tamar Schlick  & Hin Hark Gan  & 

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© 2002 Springer-Verlag Berlin Heidelberg

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Mann, G., Yun, R.H., Nyland, L., Prins, J., Board, J., Hermans, J. (2002). The Sigma MD Program and a Generic Interface Applicable to Multi-Functional Programs with Complex, Hierarchical Command Structure. In: Schlick, T., Gan, H.H. (eds) Computational Methods for Macromolecules: Challenges and Applications. Lecture Notes in Computational Science and Engineering, vol 24. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-56080-4_6

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  • DOI: https://doi.org/10.1007/978-3-642-56080-4_6

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-43756-7

  • Online ISBN: 978-3-642-56080-4

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