Key | Value |
---|---|
FileSize | 6820876 |
MD5 | 6021FFEF00952D022B42C20618E3BDA2 |
PackageDescription | Molecular dynamics sim, binaries for OpenMPI 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 OpenMPI 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-openmpi |
PackageSection | science |
PackageVersion | 2020.1-1 |
SHA-1 | 8695691F846364DE4C25F6FCA76A996E67678551 |
SHA-256 | B7DC910D64C9BF97F0E6ED0C7EC60BF071E9854827E8121B9943FA0B073FE9B5 |
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_d.openmpi |
FileSize | 9500440 |
MD5 | 548EF32A7CCD9C63F3FF02C92725C34B |
SHA-1 | 2B54386C85DF1A2F8634710DD0CB9F7587315942 |
SHA-256 | A7AA7D02E4A4172B488D5F6C3D4416EA9A1231DEC22E4D3666D75BC1416C8A0B |
SSDEEP | 98304:XBLm7Lkcme1M/nxEwMiB3SElpeX0EgxOQSxFngNQGJdAtY6tZ8bHpymBEHmGCKEM:YkcmrSiGAM3xFn22qbJHVA |
TLSH | T1E9A64C4EB1D22C7CFE9B697042A6B427A1243619026C2DBB17C35D681E67F102F77E27 |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi.openmpi |
FileSize | 8967960 |
MD5 | 2FB37B142978F62C2CDA2B27A3BC56AF |
SHA-1 | F8DB63BA2EE12B30934A578D0F15684FD8C23342 |
SHA-256 | 4434F7C8FD9EFE4FEF59F7191513A463E8E9D1010261FE17C1FAEDBD81699DB2 |
SSDEEP | 98304:OsY/YYSzzTTL0dNNEOC46deWuNFP8drnUzCFoqhI0Scq6imcCrakoI:OsY/YVzzTTLINxbFNFPYTUgra+iuV |
TLSH | T1C4965B05B5EE94E8D4EB8C7062AAF46BF9313412052529F733D499281F73B142FB1E6B |
Key | Value |
---|---|
FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
FileSize | 418 |
MD5 | B9F5A5F0B25A5446BFA06E6851C4636A |
SHA-1 | 2AB62C81162F646B5AADA6AEEEF391CB83525710 |
SHA-256 | 868A3A42C64BC250986E52B6252B18D92DB44D3B0445F601724383FDE17259E2 |
SSDEEP | 12:zHHAodrnhL/F/jIwtAodrnhL/F8IwkAjY7OAodrnhL/F/jOmB/WOAodrnhL/F8OO:znAod79F/jRAod79F8ruOAod79F/jTez |
TLSH | T194E065A5E0C49037618F4D9AC2DE977093C1E188F772FA85AF8842930B5320A19484BC |
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/doc/gromacs-openmpi/README.Debian |
FileSize | 798 |
MD5 | AF63DA52304E006F3FE8DFF8D9C22365 |
SHA-1 | D1C7F317A46AA0D135F06DEA00AE1F4A76AEDFE6 |
SHA-256 | 61C457D19226087583D2C31130EC1368EF081B387AAB32CE5ADD17EF56EEB98A |
SSDEEP | 24:T7dFp/0gARrMe/l7AOsfDbh0JXFDuF4fO7:TBVCrM9OGiJlJf8 |
TLSH | T12701153DBDC8936010C2D995D20C59D8C329851817BCC581395D765D8B0043627DFD76 |
Key | Value |
---|---|
FileName | ./usr/share/bash-completion/completions/mdrun_mpi.openmpi |
FileSize | 57 |
MD5 | DE33869B41EF132EA6AEB41D4E77AEFC |
SHA-1 | 04B069CA202F35160587D309CC6718FFE8C54F4A |
SHA-256 | 97D174E0E5DA883099180E9C739DB82C61DF06F7EEDCAFDBCC1E05CFE893A588 |
SSDEEP | 3:OJb1LHL6MTjFHnVKTR:mR/6MtVqR |
TLSH | T1A190029282D5C06A01D2CD54E1844075CAD0958927985640512014619D5971A98CD5BA |
Key | Value |
---|---|
FileName | ./usr/share/man/man1/mdrun_mpi.openmpi.1.gz |
FileSize | 5615 |
MD5 | CE287F0960491EBBA193B36033FDD89E |
SHA-1 | 1AD4194344C48D8DE695E5E69AD4FFBEA389C6FD |
SHA-256 | AB20EF4041FED942017ED2E38B4BAECFD5F8584034CE5005E8E01330F1199F7F |
SSDEEP | 96:5ctqrPaDy4FuEeCap4UhuazZEeAHVM2t6qNBh7GZgV0wrlugE0h2pLuYqIq:6tqrYFuEeCap9caSeAHVM2jBh6EhuZp2 |
TLSH | T11AC19E4502B2417B19EEE15DE728297821EC6BFC8DF82004540EBD9E8B268BFB13A508 |
Key | Value |
---|---|
FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
FileSize | 59 |
MD5 | 21ACEFEBA9F4276C423FB89E2540ABBE |
SHA-1 | 954B538CB6D223C314D5DE33389BD54F6CB4890F |
SHA-256 | D924FAB89D56C3229CA91C530F4175070B05A32C4C218C73F29DA3E79EF63C05 |
SSDEEP | 3:OJb1LHL6MTjFHnVL:mR/6MtVL |
TLSH | T1C9A0029242D5C06A01D2DD44E1888070CBD0954D66985640522015619D9871794CD5AA |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs-openmpi/changelog.Debian.gz |
FileSize | 1582 |
MD5 | D27602AA96EB434B48381E6AB3DD1191 |
SHA-1 | E48AB8016598614B49FA30A0940D25CB0498A276 |
SHA-256 | 3D02EDA59E5176AD12474592E2CD0928B36AF1118F7CEC067677CC5F65BCBBF6 |
SSDEEP | 48:XklJoSIdMj4cJ2Earu/6B7OkNUb/to+lOw:kSMs3Earu/6B7Oj2m |
TLSH | T176310A5F3ACD2E07C6B427F3CC19AE41524C77D644703A81AA1F8C1B8DE66AE9107125 |