| Key | Value |
|---|---|
| FileSize | 3221678 |
| MD5 | EE0A074CE58529AE902101C15DD62554 |
| 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 | 2016.1-2 |
| SHA-1 | 22AB6CB3EA8A8BD4212DE0FE97429E2A797766FD |
| SHA-256 | 67D2E9067CEEAAE10038241ADD1049081085E0BFB98B1E05449C6A140BACCCFD |
| 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 | 5886 |
| MD5 | AB5CD037796597CA745E36EB0AB826B9 |
| SHA-1 | 46E643D8CC9145B6B952340D934F73BA4820724C |
| SHA-256 | 5508C732E4E47FE09F0F83EB85BBDDE85F738CE96A297E289CB379DDAAF41C0E |
| SSDEEP | 96:j8l75i+NBRzHmAJ+SVVJYhl41cWZVvQHkHyKQ7FnfXajwi28qanzm3bG97Ih74MX:wHHsMVJYhl4qW3QH60ZnfEwi285K3bqA |
| TLSH | T10CC18D319EC548B0DC4A1ED3651F832393DF0E8074265FB2BD9A66D328CB1DC54A026C |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-mpich/README.Debian |
| FileSize | 794 |
| MD5 | FD20BF48FDBF3EAAFDFF30C9FB513D21 |
| SHA-1 | 875B7FA5D124ED8B026A2D23D796585D93939FA8 |
| SHA-256 | F39E160DFC533A5BDEA696AF92ED3454FC26BDE70AB6CCD8CEC5141DA8220A3B |
| SSDEEP | 12:T7U/0+m+YSAVR4+zGQhj6sS7A+LfX/Jt7bh0JXFDKZbCRmF4dbrOfl/bNlAy:T7U/0gARrMJ7AyfDbh0JXFDuF4fO7 |
| TLSH | T1F001153D7EC892A01092D995E20D95D8C32D412857BC8180385D761D4B0047527DFDB5 |
| 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/bin/mdrun_mpi_d.mpich |
| FileSize | 6352368 |
| MD5 | 702C9C7C908AF31277F3E05BD377E720 |
| SHA-1 | CF704BB3FAE178705B0B67BE8625CA97E10C6C57 |
| SHA-256 | AD90F8B773F4A67AF08F82A57321D843CE1CC5A20F6C732BC16BB2BF9C7A64FA |
| SSDEEP | 49152:dTh3PFkucqSpDI5fykS/sKCulFKkPnWuW6Kw4dGQY7mPGaogIjxhWC9XYyQksC1Z:dThfih96Byt0KCs4YWKKTdlkuA+xU |
| TLSH | T12A565DEB9861C387C0BC2C37D7962BBB935321751AF56D0C87E9CB3618E1211631AD7A |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.mpich |
| FileSize | 6331976 |
| MD5 | 074756212F7CB867A7F6A6C8F600F0D8 |
| SHA-1 | 615585FAD16E94EC096982C1F85DF5AFABDD2EFE |
| SHA-256 | 6D9AFE1A7409EBAE591223CF7DADC51AA5A68F0AC4564306AD308A112F8B7F3E |
| SSDEEP | 49152:e+yws5TJ+YCukRU9ehwk8Azti8CZChlzij0W/mVbun+OtaIjxhWCDXByQ6sH1eKs:e95lJ+YAU9GYA0cg6fYXg |
| TLSH | T134565AEB9D64C386E07C2D33D78A2BB7939326351ED27C0C9AE9CB361CA12515319D36 |
| 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/libgromacs2/copyright |
| FileSize | 21568 |
| MD5 | 15982510C6CA33F14C8C180C55C8E499 |
| SHA-1 | 529543E9A3B42F118C104207C6F8D19C7469898B |
| SHA-256 | 391576D84ACBD271000C0A06991B3996EDAD3670F9D89F7252D33778CF6BA28D |
| SSDEEP | 384:SZtlNSU3RyVCUaos86tyrscrsk1DLAfrsBrsJjDqBd3R7dhf7L/3fLrsCrsRm1D4:SZtlVRoBa/tyvJDLAfiIqBd3j1LlRDLs |
| TLSH | T1E3A2092B734803B319E206A1B64999C8F21F813E77275A84787DD21C233BB2DDAF7095 |
| 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/share/doc/libgromacs2/changelog.Debian.gz |
| FileSize | 12641 |
| MD5 | C08ACF8DC90AE800B961E44CE5D6894B |
| SHA-1 | 7EE079C5E696A5300FD258539AC1439D8D29B98D |
| SHA-256 | D154F6FC8FC50D52D8C5C295A692A6B675EDDECA122F48E06AF0C5D0E68D90BB |
| SSDEEP | 192:YH9Q6ITRYlT5WcuN8Z1HG21YQvCg5hdB1BzQZ9YXAE4+OqRtnKR8uvNvonif+1UC:RRQY9NYNZYQ7/BzQZ9BE4oUHTfhzo/uO |
| TLSH | T15642B01B74591D952BD03494B34101DB23DCACCEEABBFC087AE92A8900279E65CF587D |