Parents (Total: 55)

The searched file hash is included in 55 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	203956
MD5	6642B377A25E3016C05D58BAA06AAD91
PackageDescription	GROMACS molecular dynamics sim, development kit 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 header files and static libraries for development purposes, plus sample Makefiles. Development components for MPI-enabled GROMACS builds also require their respective packages.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libgromacs-dev
PackageSection	libdevel
PackageVersion	2016.1-2
SHA-1	07B00E9794C3E5B6DA3CA4C138FF08022D3D6572
SHA-256	F75028200FA4894C29FB6138DA9D817C323F9E6B9A60FA0FCE54B7907FD448BF

Key	Value
FileSize	19348
MD5	A491DEA58FE2236517E3F41D73E9901A
PackageDescription	Dummy package for libgromacs-dev This is a metapackage to bring in the replacement package libgromacs-dev. It can safely be removed after that installation.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs-dev
PackageSection	metapackages
PackageVersion	2016.1-2
SHA-1	07DD6976DB4379D283FA8875015D3356D45FF69D
SHA-256	C0802842D0C8EB3503702F1D315B6DDC1EDFED94FFC79D01FF60D2C6B0034BD5

Key	Value
FileSize	3983006
MD5	077B9A9B708F98D5C8E989E615C1C1AE
PackageDescription	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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs-mpich
PackageSection	science
PackageVersion	2016.1-2
SHA-1	08CD8BD5689FC46908342B3CCC4125141C0C13A5
SHA-256	1CA25D1BA2101AB532CBCE171AE4D66E57F8CB26911E90C5487A430EA67BE676

Key	Value
FileSize	205302
MD5	5A925BA1DF02B2EAB83B7A2FAEE620BC
PackageDescription	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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs
PackageSection	science
PackageVersion	2016.1-2
SHA-1	11288A1085A0D12BB5581E34EF862754493EEB96
SHA-256	7955DE6790FA50C222F444E8FDF2CCB8444355A54C688C08E539C98E7A650AED

Key	Value
FileSize	7953212
MD5	69006A3291A32825C55DA7B6AF6785DD
PackageDescription	GROMACS molecular dynamics sim, shared libraries 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 the shared library, libgromacs.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libgromacs2
PackageSection	libs
PackageVersion	2016.1-2
SHA-1	143EC404447ED261E4021D14AD69B42E5DEE203C
SHA-256	5FA14BA9034069BFE1467535A9F8CC667424F3BFA13F50898369D425016FFD17

Key	Value
FileSize	7945562
MD5	0AE6E7217DB6C5661A790B13D059E181
PackageDescription	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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs-mpich
PackageSection	science
PackageVersion	2016.1-2
SHA-1	16FA2754FE4B9DD40CC15542E466B36B95C3BAAC
SHA-256	C0E21AA02B84E64DAFBBDA319DEA0FD634B0C5DE69134908B924A8BC2C4DBFE0

Key	Value
FileSize	3798784
MD5	060C9136C062054AAF4CDCFEB5879B31
PackageDescription	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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs-openmpi
PackageSection	science
PackageVersion	2016.1-2
SHA-1	17706DADE81A4F7A91410BC65213BEBF793B99C1
SHA-256	FE1EB6C1A80EBEB0BAB14465E91E5D8E9481CD923CEB36327BAC3BD9256FEEF8

Key	Value
FileSize	6369806
MD5	E0AFE399AAC4A4D4FEF7BC4BE85FE465
PackageDescription	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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs-mpich
PackageSection	science
PackageVersion	2016.1-2
SHA-1	184679BB21DC81B1B8B25B14F316F22376BD2123
SHA-256	DD82677679328F0572E3DB09272F4CD9D202389DCD6B4E6BF7B7BEE27E8B9F41

Key	Value
FileSize	253060
MD5	CC70F2D6605E8D6C654D4BBAA010D757
PackageDescription	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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs
PackageSection	science
PackageVersion	2016.1-2
SHA-1	1C8BBE77D4CA7B7D86E43114B694449A966BA009
SHA-256	E92A67A5E46B08CFBA1D32D04A6F279E40FE70FFDE24594DCEAF33703049D719

Key	Value
FileSize	222862
MD5	1E59A741865C5E7E42BD332245C1F8CE
PackageDescription	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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs
PackageSection	science
PackageVersion	2016.1-2
SHA-1	1EE97DDF7A577DD62580BCD7CFF72FD9F6437713
SHA-256	A375565C67B4D911E7FFF27D5BA4CCDFBD9AE463FEB543250B240E7C73D6C849