Cultural advice

The Australian National University acknowledges, celebrates and pays our respects to the Ngunnawal and Ngambri people of the Canberra region and to all First Nations Australians on whose traditional lands we meet and work, and whose cultures are among the oldest continuing cultures in human history.

Aboriginal and Torres Strait Islander peoples are advised that ANU Library collections may include images, names, voices, and other representations of deceased persons.

Material in the collection may contain terms, language or views that reflect the period in which the item was created and may be considered inappropriate today.

The GROMOS biomolecular simulation program package

Simple item page
dc.contributor.authorScott, Walteren_AU
dc.contributor.authorHunenberger, Philippeen_AU
dc.contributor.authorTironi, Ilarioen_AU
dc.contributor.authorMark, Aen_AU
dc.contributor.authorBilleter, Salomonen_AU
dc.contributor.authorFennen, Jensen_AU
dc.contributor.authorTorda, Andrewen_AU
dc.contributor.authorKruger, Peteren_AU
dc.contributor.authorvan Gunsteren, Wen_AU
dc.contributor.authorHuber, Thomasen_AU
dc.date.accessioned2015-12-13T23:24:09Z
dc.date.issued1999
dc.date.updated2015-12-12T09:19:19Z
dc.description.abstractWe present the newest version of the GROningen MOlecular Simulation program package, GROMOS96. GROMOS96 has been developed for the dynamic modelling of (bio)molecules using the methods of molecular dynamics, stochastic dynamics, and energy minimization as well as the path-integral formalism. An overview of its functionality is given, highlighting methodology not present in the last major release, GROMOS87. The organization of the code is outlined, and reliability, testing, and efficiency issues involved in the design of this large (73 000 lines of FORTRAN77 code) and complex package are discussed. Finally, we present two applications illustrating new functionality: local elevation simulation and molecular dynamics in four spatial dimensions.
dc.identifier.issn0192-8651
dc.identifier.urihttp://hdl.handle.net/1885/92085
dc.publisherJohn Wiley & Sons Inc
dc.sourceJournal of Computational Chemistry
dc.titleThe GROMOS biomolecular simulation program package
dc.typeJournal article
local.bibliographicCitation.lastpage3607
local.bibliographicCitation.startpage3596
local.contributor.affiliationScott, Walter, ETH Zentrum
local.contributor.affiliationHunenberger, Philippe, ETH Zentrum
local.contributor.affiliationTironi, Ilario, ETH Zentrum
local.contributor.affiliationMark, A, ETH Zentrum
local.contributor.affiliationBilleter, Salomon, ETH Zentrum
local.contributor.affiliationFennen, Jens, ETH Zentrum
local.contributor.affiliationTorda, Andrew, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationHuber, Thomas, Administrative Division, ANU
local.contributor.affiliationKruger, Peter, ETH Zentrum
local.contributor.affiliationvan Gunsteren, W, ETH Zentrum
local.contributor.authoruidTorda, Andrew, u9510544
local.contributor.authoruidHuber, Thomas, u9512183
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.absfor030606 - Structural Chemistry and Spectroscopy
local.identifier.ariespublicationMigratedxPub23061
local.identifier.citationvolume103
local.identifier.scopusID2-s2.0-0008819754
local.type.statusPublished Version

Downloads

Original bundle

Now showing 1 - 1 of 1
Thumbnail Image
Name:
01_Scott_The_GROMOS_biomolecular_1999.pdf
Size:
168.38 KB
Format:
Adobe Portable Document Format
Download

Collections

ANU Research Publications

DSpace software copyright © 2002-2026 LYRASIS