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GROMACS 3.0: a package for molecular simulation and trajectory analysis
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Biochemistry.
Faculty of Science and Technology, Biology, Department of Cell and Molecular Biology.
2001 (English)In: JOURNAL OF MOLECULAR MODELING, ISSN 0948-5023, Vol. 7, no 8, 306-317 p.Article in journal (Refereed) Published
Abstract [en]

GROMACS 3.0 is the latest release of a versatile and very well optimized package for molecular simulation. Much effort has been devoted to achieving extremely high performance on both workstations and parallel computers. The design includes an extraction

Place, publisher, year, edition, pages
2001. Vol. 7, no 8, 306-317 p.
Keyword [en]
parallel molecular dynamics; simulation; algorithmic optimization; assembly loops; benchmark; REACTION FIELD METHOD; PARTICLE MESH EWALD; DYNAMICS SIMULATIONS; LIQUID WATER; POTENTIAL FUNCTIONS; FORCE-FIELD; BACTERIOPHAGE-T4 LYSOZYME; PHOSPHOLIPID MEMBRAN
Identifiers
URN: urn:nbn:se:uu:diva-38022OAI: oai:DiVA.org:uu-38022DiVA: diva2:65921
Note
Addresses: van der Spoel D, Uppsala Univ, Dept Biochem, Husargatan 3, Box 576, S-75123 Uppsala, Sweden. Uppsala Univ, Dept Biochem, S-75123 Uppsala, Sweden. KTH, S-10044 Stockholm, Sweden. Univ Groningen, Dept Biophys Chem, NL-9747 AG Groningen, NetherlanAvailable from: 2005-02-18 Created: 2005-02-18 Last updated: 2011-01-14

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