MDBenchmark: A toolkit to optimize the performance of molecular dynamics simulations.

Gecht, Michael; Siggel, Marc; Linke, Max; Hummer, Gerhard; Köfinger, Jürgen

Gecht, Michael; Siggel, Marc; Linke, Max; Hummer, Gerhard; Köfinger, Jürgen.

Afiliación

Gecht M; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany.
Siggel M; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany.
Linke M; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany.
Hummer G; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany.
Köfinger J; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany.

J Chem Phys ; 153(14): 144105, 2020 Oct 14.

Article en En | MEDLINE | ID: mdl-33086826

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2020 Tipo del documento: Article País de afiliación: Alemania

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