Parents (Total: 46)

The searched file hash is included in 46 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	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	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	9081668
MD5	5BDB46CDA64DBFF1AB256BF14FEFBA79
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	23AA6250CCDCE68080E41740F61622CEF7831C28
SHA-256	41CF7229A9BE3F0B6C91E498929DDEE2E204B038619CE5B3EC80C197F6175678

Key	Value
FileSize	5439936
MD5	D761D7FE3D49954F2FFE969D0719078B
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	26BFEB9C74DE4739AC8DE7FB39BFC0D481B5057C
SHA-256	2B1CD401227ADB16C94A670951E20F804EE35549CD9AB75FD88F2263284C1CC3

Key	Value
FileSize	187296
MD5	CE6037EA0CE508AE39811BFD08E750A5
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	28D750C6BA37CA3ED53E7348BF32A48A68B97C60
SHA-256	5F8EE0692415C8A7361AF6D1DB4BCB5AAE09EA4DE181E635F7760A96BEC1037F

Key	Value
FileSize	137088
MD5	785C230E4436E9C24261858CCB40E47B
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	2A7D2AFB2E74C16B5C6659D4F7E3EF98DE72DCBE
SHA-256	4892780799C4BB991E062F6764710566324750D378024B40B2F3A2E61223CFCB