Parents (Total: 110)

The searched file hash is included in 110 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	11702708
MD5	D6A338C40898B133701B8DE7DBF0D7F2
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	2021.4-2
SHA-1	0175936B3C561B6CD2DBF66E56C10FF7452424FA
SHA-256	4A9C96E31912518CC5018F0E90A9D49FAEF4D15C4E5F01951FF4C00D75EC7B73

Key	Value
FileSize	191176
MD5	B29C00345B19F29698384DEAAE1F701D
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	2021.4-2
SHA-1	0521067D6298265B97E78661BC34D0E2A4981444
SHA-256	44BBD09DCDF025DC73FA3305281E5C2A9C52DB33C2FDF13EA91C6067570E233D

Key	Value
FileSize	4666776
MD5	402C0FAEA7D551CD226F206D796698B8
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	2021.4-2
SHA-1	06F620A4E9BF1714AA01511E5DDC5E46EAC44869
SHA-256	8FCEC5C9D183A145E926D08670532E6409F14407822DC7A222B8F792B6760F58

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	3393356
MD5	A01EF97B6DC1000707616B04ADBE6C2C
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	2021.4-2
SHA-1	0B7C2C81900DDAEED0B924E8B9D9EAA8B33BBD4C
SHA-256	E3AFDC33626EF25F151D16F7690F2696D7449053083E86399C5A851F7991D025

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