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	195820
MD5	FA393D92AEF28FE024FBE21EB8F30B8B
PackageDescription	GROMACS molecular dynamics sim, NB-LIB 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. . The goal of NB-LIB is to enable researchers to programmatically define molecular simulations. Traditionally these have been performed using a collection of executables and a manual workflow followed by a “black-box” simulation engine. NB-LIB allows users to script a variety of novel simulation and analysis workflows at a more granular level. . This package contains the shared library, libnblib.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libnblib0
PackageSection	libs
PackageVersion	2021.3-3
SHA-1	0045A28F8D207823B22476A40E0F1D46BE5CCBC8
SHA-256	34B1CD58FFB8527B5969416D13A5A3597AC26669919FFE151BBD242DA4D36B0E

Key	Value
FileSize	138532
MD5	310D78CC331ADAFAC784998BA103F1CF
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	2021.3-3
SHA-1	07774D80D8E182EAFDBF01ABBEB0F1DD3E926259
SHA-256	70817C8A18BC65664370C53B9F7DF3F3DA5AAF9177A1021BFB59CD49649C9604

Key	Value
FileSize	39284
MD5	EC999B631E19971D0C8416B0E8A2672C
PackageDescription	GROMACS molecular dynamics sim, NB-LIB 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. . The goal of NB-LIB is to enable researchers to programmatically define molecular simulations. Traditionally these have been performed using a collection of executables and a manual workflow followed by a “black-box” simulation engine. NB-LIB allows users to script a variety of novel simulation and analysis workflows at a more granular level. . This package contains header files for NB-LIB. For the classical GROMACS API, see libgromacs-dev.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libnblib-dev
PackageSection	libdevel
PackageVersion	2021.3-3
SHA-1	0A0960BD7BAFC8C1E564A8C62ADF035DB6E3B5DD
SHA-256	B5F05731F2F414E6EF10593850AD6E1955191D67FD9D196A19B3DC21955E9504

Key	Value
FileSize	3629912
MD5	8A809F0DA132B9417034EF5104F7E096
PackageDescription	Molecular dynamics sim, binaries for MPI 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 default MPI interface on the chosen architecture. It is suitable for nodes of a processing cluster, or for multiprocessor machines.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs-mpi
PackageSection	science
PackageVersion	2021.3-3
SHA-1	0A13A65620514F5E26CC9C354C016A0CF69D5F66
SHA-256	895303C50DD86DCD9DB92F60C134ED03736664DCA87224EE45F420890F5FF6E6

Key	Value
FileSize	3403696
MD5	7E901246E5032CC2F3D81DBB4D388DA8
PackageDescription	Molecular dynamics sim, binaries for MPI 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 default MPI interface on the chosen architecture. It is suitable for nodes of a processing cluster, or for multiprocessor machines.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs-mpi
PackageSection	science
PackageVersion	2021.3-3
SHA-1	0B71E119E7F430E506C5C247A60C0205852B1C23
SHA-256	DE9AE9F4254E0BBCE56BA4C85BA22B91E5289E74A0833A9B74614EAA88726D48

Key	Value
FileSize	123964
MD5	1787385484370A3079790172AB1BA37C
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	2021.3-3
SHA-1	10435B5371A8A8741E0A36832B870178F53EA365
SHA-256	1FDEF479D0B644CA84E935313FEBBC9A02CB15F2A91AFE202B59CA7D0476BE79

Key	Value
FileSize	37544672
MD5	5E66892E790DF772F7EE13C552879968
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	2021.3-3
SHA-1	1C8E514EC05DA8DDBB1B7DE29EAA23CDE69F6368
SHA-256	17E00D6715AD6B4FA19A3D80BB3739F4565DBF125348505AC68334A44F47DF74

Key	Value
FileSize	4112868
MD5	875122E05FCF9389311BA0BE7C493783
PackageDescription	Molecular dynamics sim, binaries for MPI 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 default MPI interface on the chosen architecture. It is suitable for nodes of a processing cluster, or for multiprocessor machines.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	gromacs-mpi
PackageSection	science
PackageVersion	2021.3-3
SHA-1	1D63347C6BC121D044E7A6B3FB63A43E22034357
SHA-256	6CCF5F49E0EB10CF1D063CDBD77B211C4921CE5F81E138A01CAE9C778680FDD9

Key	Value
FileSize	39280
MD5	C6D2D6FE8416839817A8B1BDD4E40E15
PackageDescription	GROMACS molecular dynamics sim, NB-LIB 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. . The goal of NB-LIB is to enable researchers to programmatically define molecular simulations. Traditionally these have been performed using a collection of executables and a manual workflow followed by a “black-box” simulation engine. NB-LIB allows users to script a variety of novel simulation and analysis workflows at a more granular level. . This package contains header files for NB-LIB. For the classical GROMACS API, see libgromacs-dev.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libnblib-dev
PackageSection	libdevel
PackageVersion	2021.3-3
SHA-1	23C7F9BFC3A270E6B5D8CBF818FFF1F438FF52B7
SHA-256	440412DE17F4E25456E152773BFD9C3D6401D8976AAE071F07FB3DA694457B8F

Key	Value
FileSize	9352308
MD5	89A7C961F88DC66DBAFC3DB7F1974B61
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	libgromacs6
PackageSection	libs
PackageVersion	2021.3-3
SHA-1	2C200B6074D05B3869FF993F412FE0081FE73B96
SHA-256	B43C6D7D77EC989535061E14CDAB729BB8DD6ED844ED169BCF08B8F9F630AFA2