Key | Value |
---|---|
FileSize | 6820724 |
MD5 | EC1FE19BD80B2E3EB9A8D3E5B6E5813C |
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 | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | gromacs-mpich |
PackageSection | science |
PackageVersion | 2020.1-1 |
SHA-1 | 1C4F3FAB58A7FF1D81EA6AF91E1A7CA200C551C9 |
SHA-256 | 4D3118B17130E09317AB9445AED88C7E4495E9F9CB4722B8E21E45BACB5336B9 |
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/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/doc/gromacs-mpich/changelog.Debian.gz |
FileSize | 1581 |
MD5 | 678183A8D1C95E937E9B66B32504B89B |
SHA-1 | 54F218D859962AD5D0B8D8E06DA433F514F79B73 |
SHA-256 | D5571043580696069AF2BD78A21BCA53CFD4BEBBDE956D48016905D9CC41C9B8 |
SSDEEP | 48:XazU9ft5oVLo99lK309AIXb8vF6kGnVvX8:fr5l99lKE97X4TAVM |
TLSH | T18831EAA787CC46E1E1841B336415564C5036F83981A8F82417F14BBCADD8E99F2E1FBA |
Key | Value |
---|---|
FileName | ./usr/share/lintian/overrides/gromacs-mpich |
FileSize | 402 |
MD5 | 2C84D10121128BD450BD7B7BD2C5AC4B |
SHA-1 | EA2F8942BA34560B76B4DE911DD76A73055F6783 |
SHA-256 | FE970FD6655717C604C65E883ECFB4099541080B333FC44C41E0E0B5464B04E2 |
SSDEEP | 12:zHHkrnhL/F19akrnhL/F6DAjY7OkrnhL/F1k/WOkrnhL/FD/9:znk79F7ak79F6+uOk79F+eOk79FDl |
TLSH | T15AE09269E1C49C3B91AF4E5AC3A2EB74D15161C8E5F3F7C8D8C8613309536022A844FE |
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/bin/mdrun_mpi.mpich |
FileSize | 8967960 |
MD5 | 47EC29894059E83CCE6F3ADD779C6E2B |
SHA-1 | DF0FC3F6B8C5A458783AE42A66EA632E4B17A809 |
SHA-256 | B69B062A09DFF1CF24FCEBE7141B1A2A4FB806A28B54CEFB3E83D71C40E5143F |
SSDEEP | 98304:ZRsY/YYSzzTTL0dDXJPEFaFIrOrfFPqyQCpUOVAQRt+1zZKYV8lkksG:ZRsY/YVzzTTLIDf6sfFPwCvVUzvVu |
TLSH | T137965B05B5EE94E8D4EB8C7062AAF46BF9313412062529F733D499281F73B141FB1E6B |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi_d.mpich |
FileSize | 9500440 |
MD5 | 240802069D225EE805E4C0BAD268BA64 |
SHA-1 | 1F1F4E7604C51C967E56BDB9C503833911F567BD |
SHA-256 | 9272FB0CF927C014A493446025FCF7A6EFCD47D1F83BD9D0FE931D8741CFD092 |
SSDEEP | 98304:u+B57Lkcme1M/SxhxOPn/USLlw8nA2WFFVlP1GxzWtyQ53LT7o50RnA7OS:rkcmrKjOBABFFV86b8qY |
TLSH | T1CAA64C4EB1D22C7CFE9B697042A6B427A1243619026C2DBB17C35D681E67F102F77E27 |
Key | Value |
---|---|
FileName | ./usr/share/doc/libgromacs5/copyright |
FileSize | 30450 |
MD5 | F62B0E354DDC5702D6CAAC8224B8E188 |
SHA-1 | 8934DB79E17F71E791D6F9F2E828EE2B95410A35 |
SHA-256 | B92B8CC7E2AAA47DC7D6B75FB1D8CA576AF1C35407FCA872DE7668C79640EB6C |
SSDEEP | 768:vZtl2Roba/tyvJDLAfiIqBd3j12lRDLwjFljAsGw2Vjlbqxb+Fo7W1:H4/svJAfi9n2lRoljAsGw2VBWW2W1 |
TLSH | T18FD2F86B334403B319E20791A65998C9F22F913E77276A44787DD208233BB2DDBFB494 |
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/man/man1/mdrun_mpi.mpich.1.gz |
FileSize | 5697 |
MD5 | 4DEFE7CA589573442545F696AA0944EF |
SHA-1 | A870E13887F84F9DC69AB1B2ADC04F13276C8E97 |
SHA-256 | 1C57830A1E29F0A22666B4672A22BAD1225D729873D90E32986E876822CCDEF6 |
SSDEEP | 96:Tj+4C1FdHvaxH306zAAU9syVWGyQI6MCu8mC1cM0Wg9FqLH5AkpzOFWQZhlkqj2u:TjLyFdyJ06zKDVePE1Dp5bzOcQ2qjghO |
TLSH | T16AC18D744136E3311DBCBA28D90DAA191EF0EF3B5AB894141AC23E6B95414F811CEE9B |