套件：gromacs（2022.5-2）

[ 原始碼： gromacs  ]

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.

標籤: 領域: 生物學, 結構生物學, field::chemistry, implemented-in::c, 使用者介面: 命令行, interface::graphical, interface::x11, 角色: 程式, Interface Toolkit: X library, X 視窗系統: 應用程式

其他與 gromacs 有關的套件

• dep: gromacs-data (= 2022.5-2)

  GROMACS molecular dynamics sim, data and documentation

• dep: libc6 (>= 2.34)

  GNU C 函式庫：共用函式庫
  同時作為一個虛擬套件由這些套件填實： libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  GCC 支援函式庫

• dep: libgromacs7 (>= 2022.5)

  GROMACS molecular dynamics sim, shared libraries

• dep: libopenmpi3 (>= 4.1.4)

  high performance message passing library -- shared library

• dep: libstdc++6 (>= 11)

  GNU Standard C++ Library v3

• dep: libx11-6

  X11 client-side library

• dep: sse4.2-support

  CPU feature checking - require SSE4.2

• rec: cpp

  GNU C preprocessor (cpp)

• rec: mpi-default-bin

  Standard MPI runtime programs (metapackage)

• sug: pymol

  Molecular Graphics System

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硬體架構	套件大小	安裝後大小	檔案
amd64	137。2 kB	727。0 kB	[檔案列表]