Package: gromacs (2024.4-1)

Links for gromacs

Debian Resources:

Download Source Package gromacs:

Maintainers:

Debichem Team (QA Page, Mail Archive)
Nicholas Breen (QA Page)

External Resources:

Homepage [www.gromacs.org]

Similar packages:

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.

Tags: Field: Biology, Structural Biology, field::chemistry, implemented-in::c, User Interface: Command Line, interface::graphical, interface::x11, Role: Program, Interface Toolkit: X library, X Window System: Application

Other Packages Related to gromacs

depends

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enhances

dep: gromacs-data (= 2024.4-1)

GROMACS molecular dynamics sim, data and documentation
dep: libc6 (>= 2.34)

GNU C könyvtár: megosztott könyvtárak
also a virtual package provided by libc6-udeb
dep: libgcc-s1 (>= 3.0)

GCC támogató programkönyvtár
dep: libgromacs9 (>= 2024.4)

GROMACS molecular dynamics sim, shared libraries
dep: libopenmpi3t64 (>= 5.0.5)

high performance message passing library -- shared library
dep: libstdc++6 (>= 11)

GNU Standard C++ Library v3

rec: cpp

GNU C preprocessor (cpp)
rec: mpi-default-bin

Standard MPI runtime programs (metapackage)

sug: pymol

Molecular Graphics System

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Architecture	Package Size	Installed Size	Files
s390x	57.3 kB	413.0 kB	[list of files]