Parents (Total: 64)

The searched file hash is included in 64 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	4496532
MD5	1F01942A6668A417597F74D6B8F07CB8
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	2020.6-2
SHA-1	0174B99E46E3AF325B75BD45213CECA5188D0933
SHA-256	E8ABBE9F4FA890ABB733A4237948D90E796A99AC161A4C9AA133E746BB9EDC65

Key	Value
FileSize	10443668
MD5	5339FC01ECAE888A4CC84AC7282A60B1
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	libgromacs5
PackageSection	libs
PackageVersion	2020.6-2
SHA-1	081C3BBD44B033A6BF347585B1673D6B1521349C
SHA-256	7E14B8278B85C0D4AF468BE962624BE6CAF20FE199A5B4D63B6C5F258DB7A97A

Key	Value
FileSize	144148
MD5	2F717FAF86684B298F8157B733ABB999
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	2020.6-2
SHA-1	0AD09D0288C759828706E42079D51F4DAD07E78F
SHA-256	BAF8A6BEC0A619EC7F1AB6AD79B842ABA0F2A1FB8CD8822E3AA0439709B07143

Key	Value
FileSize	11449168
MD5	3AB4DFB9ECC49320FA3FACFB0E94EAA8
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libgromacs5
PackageSection	libs
PackageVersion	2020.4-1
SHA-1	0D6965FF3D2E9D9994B941B195FF452D08711352
SHA-256	707BE517C04239354025C96EBA77CFFC472E1DDA441D2AE4AAC3FE6B48FF82C5

Key	Value
FileSize	170228
MD5	B686B49A097F5ED6788CC8B19D3839F5
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libgromacs-dev
PackageSection	libdevel
PackageVersion	2020.4-1
SHA-1	120BDB2110CCBBE5A94B1F83C3FC747523103660
SHA-256	1B5B58DC5937F8962FD7DABAD35D3F3C5B97F26BC07BA7C4A42F88C1A855B7D8

Key	Value
FileSize	134020
MD5	48EF9A7C4692DD1C927BC6E0B6E1662A
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	2020.6-2
SHA-1	14239F6C2BDEEECCE31131BEA48164B9D0014029
SHA-256	2A342E57892193DF268444107C509D8CB93352CA957FA1ED4264D7B2AA2F0D2A

Key	Value
FileSize	187272
MD5	C1A4F9CB92098149A2136B770449BF2E
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	2020.6-2
SHA-1	14F1A216143AF8FC4288616805914E82780E339B
SHA-256	EDDD1FFAA2C0FE7E1FB94F79D6B847A2AE05A6C56712193C4D01770A33557A03

Key	Value
FileSize	170344
MD5	23EE5F3010B7E060AA87721C974C11FF
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libgromacs-dev
PackageSection	libdevel
PackageVersion	2020.6-2
SHA-1	195F7B497F62C8F10B9100848EA5A411C25BFE39
SHA-256	66DAAFFF4F3BFA29C61BE9639D2D0E96EA80E29C26B027C8F57527AF2688BC0A

Key	Value
FileSize	136208
MD5	AE3A2E38942D6CF726B3765413E14891
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	2020.6-2
SHA-1	197970FBCC62ACC9BEDB867E26E1BF47A72AAE58
SHA-256	C8309FF461171B59915DB17CE0F1A2310C615A6D194401A7E026507ECB5B1924

Key	Value
FileSize	21166712
MD5	258DB0229F9CBBECFCBDACD33969F217
PackageDescription	GROMACS molecular dynamics sim, data and documentation 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 architecture-independent topology and force field data, documentation, man pages, and example files.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	gromacs-data
PackageSection	science
PackageVersion	2020.1-1
SHA-1	1BCA2B0AC0AD65EC03E909EE044A3944CFCE7A93
SHA-256	629F97F9C4EB47AC2DC5FE2558D1661FD57631F54C9C4BB3DC4FDE3A7B5D9284