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	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	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	42464
MD5	8F4FD2B764E92A888742183E8BE674CA
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	2021.4-2
SHA-1	1AE1C2710684D5FAB02C359F4061BA0A0FC2A387
SHA-256	6734DCF5DE48F395B3618CA4EA1FD9A2C3331D79640B02365F6CA67495B23B9D

Key	Value
FileSize	148108
MD5	2C3BBBDD4960E99783D678BB40C3E388
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	2021.4-2
SHA-1	1FEBAF950BFDF78D9A9708AA116F927223DE686F
SHA-256	FCB65C0D064309F983E34284404548838055930BFF3658FB1683067E3F29E171

Key	Value
FileSize	216376
MD5	F14724E8DA1D310F29B820F10173CD48
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	2141F3BB7DDA792A2C572FBE048AAB7714F134B3
SHA-256	56CAB418C5A4EEA87EA850635D4C4C661E120DF99833304A09706036983E02AD

Key	Value
FileSize	180476
MD5	11BE34B5366C713951D3AEC60084780D
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	2021.4-2
SHA-1	242B90B428D40ABF2A7DC1FF169E70B8C52F1DF1
SHA-256	C6054ACB6655205DF1B6754DD0252E1FAEF55367A96CF0F6F2784281ACDA4E7B

Key	Value
FileSize	42464
MD5	A94DF94602FC828FEDF826AA6F0F8D65
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	2021.4-2
SHA-1	278412D3AC61C2223A5C3B73DA9411D252F9196B
SHA-256	06C8F86C897D2A620B158BD260287DDF1157B6401C085C5B02BC31622B574767

Key	Value
FileSize	191804
MD5	66EDAF2E69834FAB69A647E98625290B
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	28F4AC6FDFC30301D3A6E39F11420C8052891B13
SHA-256	3F14242195C5864B59A3F98E0C0C36DD7F93FE984CA1DEA3B55E1FD88F8063E2