Parents (Total: 51)

The searched file hash is included in 51 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	227656
MD5	DF83ED7E640B1205084D600B2E255D62
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	2019.1-1
SHA-1	0064A67C38CE59B63BD9767EBAD9041553C2E123
SHA-256	E36A64DB5861F190434DB3677633680E1633A0B80AA0CFA22875B29D0E3A5690

Key	Value
FileSize	227664
MD5	188B46C3AC0C0F22E88DA16BF949026D
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	2019.1-1
SHA-1	03C8C0F45A4C19EA6549F4F7B87AD5E9306B9362
SHA-256	1D30B368972095AF9EC10DF4B87DD4562E31FE682D5FE355A03B03184234889D

Key	Value
FileSize	3591752
MD5	BF1A1ECA78BD5E30D5C49D8880E3F45C
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	2019.1-1
SHA-1	0EDE8E32B74B919CFCD49541078410560F508C31
SHA-256	BBC864627170E758CCFC05A4802B3E45642562BB81994FBE2C3DD6A1DED589C6

Key	Value
FileSize	122700
MD5	C0E516EBB2844B44EA4485D7D9A2FF30
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	2019.1-1
SHA-1	0FDA37AB126C9218FA38FCC08A54BB4AB56423E1
SHA-256	7E48BDB52EBD18C68679E157D89F83F27035ECEED620C4078E26B979CEA3F771

Key	Value
FileSize	227648
MD5	D0F22FC998C203AA4F719D5FA8403C84
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	2019.1-1
SHA-1	1450173AB6EE9342EFC2E029E1EF2ACA97EAA834
SHA-256	72BE0FBEF062EE5E22CCB9EBD0EB26489ED2BEAAE645A2E02C1463AAA0DE6CD7

Key	Value
FileSize	3741448
MD5	8FDC287D2BE16875112D88DB0504EC95
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	2019.1-1
SHA-1	1CE1D02973946F723628C81B6A6016213A0E7296
SHA-256	88CEFEB5BC350E46ECCC04F7CCA5670938588B6A2A5E5A56E1EA75E78680470A

Key	Value
FileSize	227656
MD5	3D2FF9E86311B9C24B2510D201D96772
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	2019.1-1
SHA-1	378AF06E8011079CCF4439554C9E89C65D962A78
SHA-256	4E62BE11C6BAE8D3D0DD5E15DF8D8A1CB4172CB5E75ABA449268677FD08CA77B

Key	Value
FileSize	32698652
MD5	C546740C6085ED66A2D0EA58E1C387B6
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	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs-data
PackageSection	science
PackageVersion	2019.1-1
SHA-1	3D24D05B793B9F1ADBC089DCDAF8A07455E69540
SHA-256	E75EDBF298407408B6541B26C1EEEEB8971D645FB89B3FE1B2C29BDEE6700182

Key	Value
FileSize	111884
MD5	D14423077C4429F915CBBEF6D29C2BD6
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	2019.1-1
SHA-1	3E3E2C239F45E7D39ED02742707B07433EE2CF1B
SHA-256	442B017E785E88A0EDBE01D8AA53FF85334A9C9A9D6E326BB842EC6E844F9F90

Key	Value
FileSize	3740584
MD5	DCDA86772730783415756A8A0141B603
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	2019.1-1
SHA-1	46A89AF5661D362032EA11C923CB21C7DFEE5A65
SHA-256	BA8D35AD5386AD9AC697A11A4C288893905373305AAE4BD4A24D81D3B939AED9