| Key | Value |
|---|---|
| FileSize | 3480476 |
| MD5 | B158D72A61B8EE537CC6E559B06255CB |
| 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 | 299EF7934F1F6DEE5341DF6E7F85698A29EC42BC |
| SHA-256 | 46EF60F6A57B5A5F9F79E91B6FCC112C7AC818EDDEC6164E72D4445DE5EC2118 |
| 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/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/bin/mdrun_mpi_d |
| FileSize | 7034888 |
| MD5 | 91F541AC844A88DD2BC957E6B2149DCC |
| SHA-1 | 144CBD1AF4C20477613E91279F1A34AC5F0A484D |
| SHA-256 | DCCEA4ADA94BD6379037835FE0C4BC8ED7FBE8E21EBE350E3DFF25588AEE16A1 |
| SSDEEP | 49152:IIN3rBMKInMM/nkth7BzExfzrvvITu3Wufcxr5AgtQ6YTF2B/CASrrn+OmYCbPxK:IIN7I8JBz8nvlZfqNtQnAB/RZ8N9 |
| TLSH | T14A665C9798B1C78BC0B86D33D297AFF79253357519E56E0C8EACDB3218A02209319D77 |
| 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/bin/mdrun_mpi |
| FileSize | 6932488 |
| MD5 | 48660D368F43A2030B58D0A3C2D4CF3C |
| SHA-1 | 9A467271297E0789F561EA01194B84A7DB71AD43 |
| SHA-256 | 4DA2800346CBD363616096E09FAE16EC6223715D01CFFF63FC7EBB4D35F2D65C |
| SSDEEP | 49152:QgznJgFcRt5ZGNR4h95L4uCJgLyoRNQ36WB8Xawyepr/sxDQkVUiUC5J1uQvADrO:QgzecRDZc4B4VgXRK3eX4epr/+lsq |
| TLSH | T167666C9798B1C78AC0B8AD33D397AFF7925336350ED6A91C99ACD73218603148719E73 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libnblib0/changelog.Debian.gz |
| FileSize | 18472 |
| MD5 | D97587A094BE4A65C58187630F27EDCD |
| SHA-1 | 8A906B86D32CADEDF04A7A7447FBBBE136E2246A |
| SHA-256 | 601372BFBA60F16ACAA7775BD4E8019D83479DB5E0427C1B2925E1E1B1DFA67A |
| SSDEEP | 384:+scgNVYDQpTAZyPF5/B59WqD7SZg+m3ev+L+Cnd9Po:+ZMYDQp8MPFl5WaGZg+m3GxCk |
| TLSH | T1B682E185160EB4246DDC34368C9F264334FAB1AE7D5472C23AE456FCD50F2C45AE36AE |
| 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 |