Parents (Total: 54)

The searched file hash is included in 54 parent files which include package known and seen by metalookup. A sample is included below:

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	144148
MD5	2F717FAF86684B298F8157B733ABB999
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	2020.6-2
SHA-1	0AD09D0288C759828706E42079D51F4DAD07E78F
SHA-256	BAF8A6BEC0A619EC7F1AB6AD79B842ABA0F2A1FB8CD8822E3AA0439709B07143

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	134020
MD5	48EF9A7C4692DD1C927BC6E0B6E1662A
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	2020.6-2
SHA-1	14239F6C2BDEEECCE31131BEA48164B9D0014029
SHA-256	2A342E57892193DF268444107C509D8CB93352CA957FA1ED4264D7B2AA2F0D2A

Key	Value
MD5	DBF829CA29054343F70D9C274CDAA2F4
PackageArch	aarch64
PackageDescription	GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package provides single and double precision binaries. The documentation is in the package gromacs-common. mdrun has been compiled with thread parallellization, so it runs in parallel on shared memory systems. If you want to run on a cluster, you probably want to install one of the MPI parallellized packages. N.B. All binaries have names starting with g_, for example mdrun has been renamed to g_mdrun.
PackageMaintainer	Fedora Project
PackageName	gromacs
PackageRelease	1.fc32
PackageVersion	2019.6
SHA-1	180E1139E9CE326B114136C739C46F5357C05AFF
SHA-256	2322376E0CCB52FD985D98125C24C657B52EA516AAD6942DD868DF71290D6D2B

Key	Value
FileSize	136208
MD5	AE3A2E38942D6CF726B3765413E14891
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	2020.6-2
SHA-1	197970FBCC62ACC9BEDB867E26E1BF47A72AAE58
SHA-256	C8309FF461171B59915DB17CE0F1A2310C615A6D194401A7E026507ECB5B1924

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
MD5	FDDCA802A20478292250710184C937A7
PackageArch	x86_64
PackageDescription	GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package provides single and double precision binaries. The documentation is in the package gromacs-common. mdrun has been compiled with thread parallellization, so it runs in parallel on shared memory systems. If you want to run on a cluster, you probably want to install one of the MPI parallellized packages. N.B. All binaries have names starting with g_, for example mdrun has been renamed to g_mdrun.
PackageMaintainer	Fedora Project
PackageName	gromacs
PackageRelease	1.el8
PackageVersion	2019.4
SHA-1	241A67D8CF47BA34DE7D5E28481843B03FD13A62
SHA-256	ED817F6443BE442EC3EEFE7D0AFEC8CFB46D7424019201B2B11EABD1870807E5

Key	Value
MD5	E4DA39F066940A0A36642372ED9F1389
PackageArch	aarch64
PackageDescription	GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package provides single and double precision binaries. The documentation is in the package gromacs-common. mdrun has been compiled with thread parallellization, so it runs in parallel on shared memory systems. If you want to run on a cluster, you probably want to install one of the MPI parallellized packages. N.B. All binaries have names starting with g_, for example mdrun has been renamed to g_mdrun.
PackageMaintainer	Fedora Project
PackageName	gromacs
PackageRelease	9.fc34
PackageVersion	2019.6
SHA-1	291E6F01AAAE3C2AC2F6415749F328CF883C010E
SHA-256	CCED74E2022A7066C829CFA862373E41A2C722E5564F116FD42510D1D9A37356

Key	Value
FileSize	137088
MD5	785C230E4436E9C24261858CCB40E47B
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	2020.6-2
SHA-1	2A7D2AFB2E74C16B5C6659D4F7E3EF98DE72DCBE
SHA-256	4892780799C4BB991E062F6764710566324750D378024B40B2F3A2E61223CFCB