Key | Value |
---|---|
FileSize | 3500764 |
MD5 | 1517F7DA69DB6E8DA3D93055B183869D |
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 | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | gromacs-openmpi |
PackageSection | science |
PackageVersion | 2020.6-2 |
SHA-1 | 37EE9D17F05AC41F8F81F86419C19DC4B472698A |
SHA-256 | 778994225F25B56A0AB2C9CFA24EC7361592EAF941D3A08BAE7D6552792908CB |
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 | 6249924 |
MD5 | A3FC971B8469E3998463A176272EF3BF |
SHA-1 | BBE8635609F36B64EBB5C7AC91DDA0F1BC399F97 |
SHA-256 | 7CE384416D8DA93705D51B6756386ABD84D88146AA43AE4972EB2A956FB14D99 |
SSDEEP | 98304:lF85BiMPJDnV/6gUhxaRglf0MCksLJ4qy9t:v85BiMPP6gExaRK0MC14 |
TLSH | T1F3563A96B8806872C6D4277FB17E8AB833031BB9D3DB3401591283273BDB6861D7F656 |
Key | Value |
---|---|
FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
FileSize | 433 |
MD5 | 3C9ABFCC131216C1E9CE88D91F5C2E79 |
SHA-1 | 9596C663E0AB79F0AD47DDD1B651E90A2A463CC8 |
SHA-256 | 7BA81D4492F010DCBB09472AFDF5F9433403C1E2988DFBF5D5EAF784DFF7B4C9 |
SSDEEP | 12:zHHAodrnhL/F/jIwtAodrnhL/F8IwkAj0YBCAodrnhL/F/jOmB/WOAodrnhL/F8R:znAod79F/jRAod79F8r9EAod79F/jTez |
TLSH | T193E030A6E1C49037618A4D9AC2DA97749381E188F772BA85ABC842930B522061A494AC |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi.openmpi |
FileSize | 5889476 |
MD5 | 82E54B5234CB939FFE877C11270F89C8 |
SHA-1 | 3A3FA114BBC204C90B827A37CE6C79719D0CE411 |
SHA-256 | 32D976B16EEB1487AEB1F1D956BB2D601CD8482B4C2F9B90CBA5D7399DD9E535 |
SSDEEP | 49152:D6M34IgA1EvzZmd1MpD9xe0tRwKuWUl81xOQfmYwFwwww9wwwwr1s3z6/a0Mt0/C:+MIIgAaxPwxlXPA+Gqiwo |
TLSH | T1B8563A87B841986185D42B77B13E95A4B243137AD3DB3007C9158B283BEF6CE4D3E7A6 |
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/man/man1/mdrun_mpi.openmpi.1.gz |
FileSize | 5619 |
MD5 | 6DD2BA7F631B6CCB9F147D967A1D22C5 |
SHA-1 | A787B37728ECB04EEFE6B84BF03F3B900D8B9A1C |
SHA-256 | CFECAFAD69D47543E89301FFCD0A393308F5B352D8A817E5EC18FA8209FDD238 |
SSDEEP | 96:cI9OVbjL+oxaMvrsmItihpng7XYxDtsdJ0OeRUAP+Fwkj/SgKYcn5B2:UVfRxaksmvng7UwiJR3k+gKYa5w |
TLSH | T1E4C18FF5110868EDE108574A971E2CF0C9C5F324DBDFCE614A13BE93D219793A6C9515 |
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/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/libgromacs5/changelog.Debian.gz |
FileSize | 16539 |
MD5 | 808F648F998945BDF1DE7CEBE8AC0A80 |
SHA-1 | DC5C2522DC3023346ED1276BA6B797EA3017C58E |
SHA-256 | 61F3287DD85890288F2FDCCE241ACD043D425AB7DA3380740B4FFB2EAC564C9F |
SSDEEP | 384:UImZKYFrUf5mukZs1Gk6roVeoQi/4YDhLYYO9fGfLF+8:UIQrM1Kk6roVeoPlKMzFp |
TLSH | T1C072C02C3A9B681574A097F1BE18C7B1B1542DFFF9BAF3D5359B2D5128C8B2749C0444 |
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 |