Key | Value |
---|---|
FileSize | 6370288 |
MD5 | 96D8876D9360B09EFE6E8A6B11515A08 |
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 | 845D2028CEE68943A89B2E3D9DFD33592BA1EEB7 |
SHA-256 | 48A69FC3B687330EDF8107D6FF39EB1128B0A25B80E84045C0B52D9A47735DA7 |
hashlookup:children-total | 9 |
hashlookup:trust | 50 |
The searched file hash includes 9 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi |
FileSize | 9264812 |
MD5 | EB8B5171573165A517968D6A0058CA69 |
SHA-1 | 320A8DCDC2F0E1A7E4BA6D14D0BA1E8D498FE61E |
SHA-256 | 263A0E30AD5ED7822527FD3BD37FFABD4465F1C25C316C035B093FA752B25ACC |
SSDEEP | 196608:I3tlAqF5jZ2dO7zE4UK/8OlSXbxVNGpkln7yP3xZtJiYJsKjJtm1iaL33zGRbYnF:MlPiWzE4UK/kxV37y5ZtJ/JwG6VZ2w7E |
TLSH | T1C7965B50EFF9A6A0EA930CF0211F6569D4703E270013B1F3EBD42E54EDA2B984576AD7 |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi_d |
FileSize | 10100396 |
MD5 | 184994D0F4B8A3FC9454963EE3591C7D |
SHA-1 | BE3794DE6D4C4A3400F5F04EA9C2A0F942B6790B |
SHA-256 | BEF4AF97E92EA625CD45D49956637E00EA119989268771097A8D78920BF2A45D |
SSDEEP | 196608:xYHqdjTWa3WgoPmlxL+BETBD7KbqPcqWZbr2dVos4zoDEYJOglIvxIXDOebcG/WD:BdVoxETBn8qPcqWZn2dizorOglIv2XD/ |
TLSH | T1FFA63940EEF3EEA1E34208F413577425D8183B21145EACFFAFC55A86AE79780295DE27 |
Key | Value |
---|---|
FileName | ./usr/share/man/man1/mdrun_mpi.1.gz |
FileSize | 5718 |
MD5 | 84D68DC1DD6784D3E8E5BD74988C5DB8 |
SHA-1 | 677327930623FC2ACDC992888DE876B15D6BBB35 |
SHA-256 | AAE07B4E3A267C0F5A82A8FF7FA5A8CE0DADAE6A15C4EA2725B2D13F839379E8 |
SSDEEP | 96:tKktTg23ACVacpZb04jhDzPaHCYb+10nDWZP4v/jw7Itg+VgrjwFOgV7l4x9nG:tKUgdfW44jhDjaZSCnDWar+Sg+esFvnj |
TLSH | T11FC19EF5F734574E2CE91BA6024089B90BDA50BE8D998FC0ACA0C349D71E281DFD6CD8 |
Key | Value |
---|---|
FileName | ./usr/share/bash-completion/completions/mdrun_mpi |
FileSize | 49 |
MD5 | A2B907FDBE60B2B94A5881D36ED25931 |
SHA-1 | 6F8C29D1C0BD418789A6EEEA149A23501E3C9BA2 |
SHA-256 | 30D9CE44E2F46981B4CC82D540544D03DC8786877611DAA75A1549069075E4FC |
SSDEEP | 3:OJb1LHL6MTjFHnVM:mR/6MtVM |
TLSH |
Key | Value |
---|---|
FileName | ./usr/share/doc/libnblib0/changelog.Debian.gz |
FileSize | 18328 |
MD5 | D1712676AC6948C582EAC2D85684C805 |
SHA-1 | D19E39ACF290F166D2E549278CA93F5A086916A4 |
SHA-256 | 9DDA45D8045E449647FF347ADC41F885EC34CF07ED9DF195460D24071B5DBB12 |
SSDEEP | 384:SVDLusp/bhFMGPuMFft1sUOdaupmSDkEQeVVR:SVDD/dSojFvsb3pRDkm |
TLSH | T18F82C0C3A3429DFFD4FEE66B574002C44EAF35C5AF481D9699704EAF89AA2055045B81 |
Key | Value |
---|---|
FileName | ./usr/share/lintian/overrides/gromacs-mpi |
FileSize | 385 |
MD5 | 52ACA6578624AF4FF42D5C0B4E7B68B2 |
SHA-1 | 1F8B7087E2A1F42F1F6AEE718E81605CB4719E1E |
SHA-256 | C8FC469A283F6C57A6636B6AE6F3C639A3B07D8EFA56D207F20445CEB82C3019 |
SSDEEP | 12:zHHkQnhL/FNtkQnhL/FpAj0YBCkQnhL/FomB/WOkQnhL/FE/9:znkY9FnkY9Fk9EkY9F1eOkY9FEl |
TLSH | T1ABE0D898E2C4503BA14E4FDAC3D36B70920171C8EB72F7C49DCC61230D531122E454BC |
Key | Value |
---|---|
FileName | ./usr/share/doc/libnblib0/copyright |
FileSize | 31985 |
MD5 | 16F90358FB401F0FDD5255C7B1FAC3B6 |
SHA-1 | 4BA03D904453D37400A5ADFD505446C2DB94BC9E |
SHA-256 | 4814E82AF6579687925C0AA84469EEAF78433AF534CEF69B759CB17FEEB067FB |
SSDEEP | 768:vZtlhRoba/tyvJDLAfiIqBd3j12lRDLwjFljAsGw2Vjlbqwb+Fo76D1:HB/svJAfi9n2lRoljAsGw2VBTW26D1 |
TLSH | T108E2E76B334403B319E20791A65998C9F22F913E772B6A44787DD218233BB2DD7FB494 |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs-mpi/README.Debian |
FileSize | 574 |
MD5 | 398A62A705E9806EAF59E14653DA036C |
SHA-1 | DDCE61CB5533BCC09D39BC04C2404D6584D872E1 |
SHA-256 | 381A764E2A47ECA700DB055A2BD5BFD4E5502056CA73BEDCB71B7ED4C5761F86 |
SSDEEP | 12:T7h3/0+m+YSAVR4+zGQhvC5Wh78IwxqTq1KG7bBNMbrL8m+fl/bNlAjXnEFPdr:T7F/0gARrdCca9xL1KWbBNerL+9FFr |
TLSH | T151F09EBD7EC063A11119EC5AD04D48D4DB6B806D376645D4B95C83985B048316BDF819 |
Key | Value |
---|---|
FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d |
FileSize | 51 |
MD5 | D0158D82CB4CFBC1DEBDE86B3CCC1189 |
SHA-1 | 1FC5B150E9C4BECA2AD220028BCB8CBD5028C2DF |
SHA-256 | 6CE5EAD0587D2172A71076D38F7C8FB475F40C811AF5C4C4F2622E2F3A4005D4 |
SSDEEP | 3:OJb1LHL6MTjFHnVF:mR/6MtVF |
TLSH | T18790029102D5C06A01D2CD44A1844070C990554916985240502014219C9861294CD5AA |