| Key | Value |
|---|---|
| FileSize | 3740584 |
| MD5 | DCDA86772730783415756A8A0141B603 |
| PackageDescription | Molecular dynamics sim, binaries for MPICH 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 MPICH (v3) interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | gromacs-mpich |
| PackageSection | science |
| PackageVersion | 2019.1-1 |
| SHA-1 | 46A89AF5661D362032EA11C923CB21C7DFEE5A65 |
| SHA-256 | BA8D35AD5386AD9AC697A11A4C288893905373305AAE4BD4A24D81D3B939AED9 |
| 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.mpich.1.gz |
| FileSize | 6146 |
| MD5 | 9FDC906F0F72D0D2035A815662DEF070 |
| SHA-1 | 7CD29DE51E8B3DE7E4F82D8FE037BEA6FAA728C1 |
| SHA-256 | E5759EADE33091B119F9146DAF02676A699F6D10F1AF0FBABAE622B3107D670B |
| SSDEEP | 96:Nt5+N1xQVMfNghA1vpQfwPW2oW35XB13yLRQlnNXGDYEluptoY+U1SEU5J+mTxUU:3wNbmMKyvMghoWV9JRGlTY+ASjuyCnUL |
| TLSH | T19DC1AE25415239F65A4C026D10DB409189700C62AE89E7B0F3AD483BA3BBA8978FF7D5 |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-mpich |
| FileSize | 212 |
| MD5 | A581D9861FF39814311D5CC9E769AB6F |
| SHA-1 | CFFB99740D993DD696B932A439F6310846B03E0F |
| SHA-256 | FF1F95EDAE2B76FD75F95F065D592EE301A6C36AD608371F3CCEBB977EDC802A |
| SSDEEP | 6:SLQa2JbMOfMrLyahL/FLSVZM98W6fMrLyahL/FLSV98Wo:zHHkrnhL/F19akrnhL/F6I |
| TLSH | T173D0235DD2C45C27815F0F46C2929B74D15070C8F9E1F7C4C8CC51330C435111E414ED |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libgromacs3/copyright |
| FileSize | 21613 |
| MD5 | BAF29C0975CD936D67AFC258929ADA96 |
| SHA-1 | D71AF096C971636CE5FFF78ED54858D2E6142395 |
| SHA-256 | 9CED92A1EF81400F4CE9CF0666599ADA7AECF334B8F589E0BC0EC35489805CE2 |
| SSDEEP | 384:fZtlNSU3RyV2Uaos86tyrscrsk1DLAfrsBrsJjDqBd3R7dhf7L/3fLrsCrsRm1D4:fZtlVRola/tyvJDLAfiIqBd3j1LlRDLs |
| TLSH | T142A2092B734803B319E20691B64999C9F22F813E77276A44787DD21C233BB2DDAF7095 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-mpich/README.Debian |
| FileSize | 792 |
| MD5 | 592DA9605F3406B4594806E1374AE5AE |
| SHA-1 | FFDD4B0A6DD044A1E4604316A1E528F6FDA7AB8F |
| SHA-256 | 5680557E5C0D86C0707C6155472AB1AD63B58537810DFA03239E6E0EE8BE6218 |
| SSDEEP | 12:T7S/0+m+YSAVR4+zGQhj6n0S7A+LfX/Jt7bh0JXFDKZbCRmF4dbrOfl/bNlAy:T7S/0gARrM0S7AyfDbh0JXFDuF4fO7 |
| TLSH | T18201103D7EC892A01092D986E20C96D8C32D86286BBC8180389EB61D4B0047627DFDB6 |
| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi.mpich |
| FileSize | 55 |
| MD5 | DD95B912646150567E172D650DFD3C25 |
| SHA-1 | 44AB60513C9559BC90F6013561514140750F27C7 |
| SHA-256 | 1244EDC6A3A1881F1C41B35FEAEF6EAEACBB0E73B973BA1FCD0AC752BD364181 |
| SSDEEP | 3:OJb1LHL6MTjFHnVKoMGN:mR/6MtVZMa |
| TLSH | T19C90029142D5C46A01D2CD45A1904074C9D0558916D85240906014259C5971294CD5BB |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libgromacs4/changelog.Debian.gz |
| FileSize | 14684 |
| MD5 | 4B65709653BDC8E59B5A37CC6D1E79C1 |
| SHA-1 | 2220B53DA2F6EFC7E7FDF246062C851333CC1DB2 |
| SHA-256 | 091A9A75A830194183662E80EB1B14FA5BA47D1FF64ABD75BBD3568638EE4EDE |
| SSDEEP | 384:if/W6RYXEjuaLHFDVdo8hUSfMcXwqKFmwtIzw+Dmc:iXW6CXe7Dr7NM+OttZ+Dmc |
| TLSH | T11D62CF7FE9E0AF12E7E4D054E08052A78C3C616C424723F16E244608E26B479EED6A7B |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.mpich |
| FileSize | 6379444 |
| MD5 | EE26DC45501E731035B0AD15353F2322 |
| SHA-1 | 4B9AA1C40AE9B06F5A2C9C263AF7D1990B7C059B |
| SHA-256 | 8EC96AFDA1EA065DE9F34E335B6BFA5E3AF6CBE46145019FC8BBB259B4B47F16 |
| SSDEEP | 98304:xTJ2fGh8U17xqSB+dYIS6XvB2Btk6QAtLv:xEGhL17xqSmzXvUZ |
| TLSH | T1BE561847B882586195D52B77B13E95547203237AD3EA3007D915C7203AEF7CE0A3EBEA |
| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.mpich |
| FileSize | 57 |
| MD5 | 4B88CD4FC7A83B076366DB8B38DAC11E |
| SHA-1 | ADFD495180BA327060FE0D4A5B389B17065CBB92 |
| SHA-256 | 2CC7C2CD5335FB9EDC0AF8E9B57BAC6265255BE5ADF542087572EB27F991B170 |
| SSDEEP | 3:OJb1LHL6MTjFHnVna:mR/6MtVa |
| TLSH | T19D90029242D5C46A01D2CD44A1948070CA90554D66D85240906054219C98B1294CD5AA |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d.mpich |
| FileSize | 7124916 |
| MD5 | 79EF2762B7095866D8BEC2537911C446 |
| SHA-1 | D93691C964A52D175B02F7F74F1C41BBA7586888 |
| SHA-256 | 066F423781816482EEA5072C06343CCD273577BD2E27C3DBC95FE780F8B5B5BD |
| SSDEEP | 98304:GW/B+ZY78Ij6hppcmpOIisZ7VfWkCedOC:GWhgzcLSZx |
| TLSH | T1A076F646B8813876C7D9177FB17E8AB932022B7DD3DA39019813C2173ECB3862D6B556 |