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[ 源代码: gromacs ]
软件包: gromacs-openmpi (2018.1-1)
gromacs-openmpi 的相关链接
Trisquel 的资源:
下载源码包 gromacs:
维护者:
Original Maintainers:
- Debichem Team (Mail Archive)
- Nicholas Breen
外部的资源:
- 主页 [www.gromacs.org]
相似软件包:
Molecular dynamics sim, binaries for OpenMPI 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 OpenMPI interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.
其他与 gromacs-openmpi 有关的软件包
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- dep: libc6 (>= 2.27)
- GNU C Library: Shared libraries
同时作为一个虚包由这些包填实: 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) [amd64]
- GCC support library
- dep: libgcc1 (>= 1:7) [i386]
-
- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
-
- dep: libhwloc5 (>= 1.11.9)
- Hierarchical view of the machine - shared libs
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- dep: libopenmpi2
- high performance message passing library -- shared library
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- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
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- dep: openmpi-bin (>= 1.2.3)
- high performance message passing library -- binaries
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- dep: zlib1g (>= 1:1.2.0)
- compression library - runtime
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- rec: gromacs
- Molecular dynamics simulator, with building and analysis tools
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- sug: gromacs-data
- GROMACS molecular dynamics sim, data and documentation