Paketti: gromacs (2023.1-2) [debports]

[ Source:  ]

Molecular dynamics simulator, with building and analysis tools

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.

It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non- biological systems, e.g. polymers.

This package contains variants both for execution on a single machine, and using the MPI interface across multiple machines.

Muut pakettiin gromacs liittyvät paketit

• dep: gromacs-data (= 2023.1-2)

  GROMACS molecular dynamics sim, data and documentation

• dep: libc6.1 (>= 2.36)

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6.1-udeb

• dep: libgromacs8 (>= 2023.1)

  GROMACS molecular dynamics sim, shared libraries

• dep: libopenmpi3 (>= 4.1.5)

  high performance message passing library -- shared library

• dep: libstdc++6 (>= 11)

  GNU standardi C++ -kirjasto, versio 3

• dep: libunwind8

  library to determine the call-chain of a program - runtime

• rec: cpp

  GNU:n C-esikäsittelijä (cpp)

• rec: mpi-default-bin

  Standard MPI runtime programs (metapackage)

• sug: pymol

  Molecular Graphics System

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Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
ia64 (epävirallinen siirros)	65.7 kt	552.0 kt	[tiedostoluettelo]