GROMACS 3.0: a package for molecular simulation and trajectory analysis
2001 (English)In: JOURNAL OF MOLECULAR MODELING, ISSN 0948-5023, Vol. 7, no 8, p. 306-317Article 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, p. 306-317
Keywords [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, id: 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, Netherlan
2005-02-182005-02-182011-01-14