Parents (Total: 17)

The searched file hash is included in 17 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	3760238
MD5	5D9FA32AB7D9EBE7B735B2A332106072
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	5.0.2-1
SHA-1	0BD0D343E74B0CAD7349A4AA2F47A12560A4AC47
SHA-256	7C3DA1EEF4E770E54F2C65C8C627C19B545378D7E11C7C6573A058784C7CFC50

Key	Value
FileSize	227602
MD5	BD2CB8211ADC5C9ACDB1F44078193F9B
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	gromacs-dev
PackageSection	devel
PackageVersion	5.0.2-1
SHA-1	0E79C3F146266D7E2AEA51DA531C7C65A1F8FFBC
SHA-256	A2FB4ED7F2F1013B05A2B8EACDBB77ADA1B1448AF858331B5B9D98209D69A700

Key	Value
FileSize	227990
MD5	16BDBCC03276AE121D946D8E1BEB4975
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	gromacs-dev
PackageSection	devel
PackageVersion	5.0.2-1
SHA-1	13FD31D9107638928EF20501316A6B966AFB197D
SHA-256	007F2F6DA659B3C892EEC268B5A8C5D8BDC9CE11FCEA36F8319B8EDCC2231294

Key	Value
FileSize	7907952
MD5	FFBB97896E22B89EC2F937587A93EFAF
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	5.0.2-1
SHA-1	214BD4B8747CC3625B45D78BAFE82329CE7B2431
SHA-256	538CDAD3EC56D2B008521F3E8A08F8D75DCAC761E0BB7B03ACCE977FCE2241A3

Key	Value
FileSize	227622
MD5	3B12F74D7E9461779307E8C9BE98333F
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	gromacs-dev
PackageSection	devel
PackageVersion	5.0.2-1
SHA-1	2D56776A85C6DC7F1CC65F898607D5F9A7D87425
SHA-256	AA9B685EA8AF17A60C5CDB6341BDC69BECF3C58D029EE2F46905960C7ACC1E42

Key	Value
FileSize	5911756
MD5	BB290237920CFB5801FE10D1509634BF
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	5.0.2-1
SHA-1	3AD8414C86D784AAA05D04FA29389C999D3531E5
SHA-256	7E47315EB8895686AFB094ACE750D08FABCE154115C41BEFD9BC02940123703C

Key	Value
FileSize	6248398
MD5	2FBD61ED25FAA5B7BA2BCBB3FAA27E77
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	5.0.2-1
SHA-1	3D2550AFD1A244A3B58587337047121B2BB4AAA0
SHA-256	AF717E2676B28C415F694FD2BD01BBBC25ED4AB1DC6B39A6685BE4D67F38E132

Key	Value
FileSize	6248988
MD5	9E1A7471BE42EF1AEE0C393F3FCB8D85
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	5.0.2-1
SHA-1	42AAEE15E61E032CDA6455CD40C5B8489B3C41E2
SHA-256	328240847E92A6A865107705A96FB88B5C6AEC00B779ABBB477924455667B449

Key	Value
FileSize	7350410
MD5	EFCD60BF09C807B798A9EB3DDE0CAC06
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	5.0.2-1
SHA-1	44FD0A24F361732B812D83B5C51E1BCB54051CE3
SHA-256	BF54990512E2A20E66E9193C18D1841C09361CEB1EF678991523B29C19FC70F4

Key	Value
FileSize	3763042
MD5	8258326ACD3FE14D23C6AD0A05FB79F0
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	5.0.2-1
SHA-1	5B27CF54461D6301528B182EA0A99DD4C69B9798
SHA-256	1CD8B8D1F3D953E8A20DA3250D0C577CE2D00AF89C84322FEEA432017838E563