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Gromacs is a molecular dynamics package primarily designed for biomolecular systems such as proteins and lipids. originally developed in the University of Groningen. GROMACS Reference Manual Version 2016.4 Contributions from Emile Apol, Rossen Apostolov, Herman J.C. Berendsen, Aldert van Buuren, PГ¤r Bjelkmar, Rudi van Drunen).
Debian- Details of package gromacs in sid
manual-2016.4 Computational Chemistry Force Field. вђў updated mpi applications performance tuning to add the gromacs may 2016 4.0 document has been updated as follows: intelв® omni-path documentation library, $ ml spider gromacs/2016.4 documentation and manual for gromacs 2016.2; gromacs documentation; gromacs tutorials;).
manual-2016.4 Computational Chemistry Force Field. installation notesв¶ two gromacs 2016.4 installations are available on sharc; one with and one without gpu support. both installations use single-node openmp, raymond hilton percival thomas with expertise in: physical chemistry. read 12 publications, 1 questions, 1 answers, and contact raymond hilton percival thomas on).
GROMACS 2016.4 Faculty of Science HPC Site