Пакет: gromacs-mpich (2019.1-1)

Връзки за gromacs-mpich

Ресурси за Debian:

Изтегляне на пакет-източник gromacs.

Отговорници:

Външни препратки:

Начална страница [www.gromacs.org]

Подобни пакети:

Molecular dynamics sim, binaries for MPICH parallelization

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 only the core simulation engine with parallel support using the MPICH (v3) interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.

Етикети: Software Development: C Development, Библиотеки, Field: Biology, field::chemistry, implemented-in::c, User Interface: Command Line, Role: role::devel-lib, role::program, Scope: Utility, Works with: Packaged Software

Други пакети, свързани с gromacs-mpich

зависимости

препоръчани

предложени

enhances

dep: libc6 (>= 2.27)

GNU C Library: Shared libraries
също и виртуален пакет, предлаган от libc6-udeb
dep: libfftw3-double3 (>= 3.3.5)

Library for computing Fast Fourier Transforms - Double precision
dep: libfftw3-single3 (>= 3.3.5)

Library for computing Fast Fourier Transforms - Single precision
dep: libgcc1 (>= 1:3.0)

GCC support library
dep: libgomp1 (>= 4.9)

GCC OpenMP (GOMP) support library
dep: libhwloc5 (>= 1.11.12)

Hierarchical view of the machine - shared libs
dep: libmpich12

Shared libraries for MPICH
dep: libstdc++6 (>= 6)

GNU Standard C++ Library v3
dep: mpich

Implementation of the MPI Message Passing Interface standard
dep: zlib1g (>= 1:1.2.0)

compression library - runtime

rec: gromacs

Molecular dynamics simulator, with building and analysis tools

sug: gromacs-data

GROMACS molecular dynamics sim, data and documentation

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Архитектура	Големина на пакета	Големина след инсталиране	Файлове
arm64	5 668,8 кБ	14 926,0 кБ	[списък на файловете]