Molecular Dynamics Package
GROMACS is a versatile and extremely well optimized package to perform
molecular dynamics computer simulations and subsequent trajectory
analysis. It is developed for biomolecules like proteins, but the
extremely high performance means it is used also in several other field
like polymer chemistry and solid state physics. This version has the
dynamic libs and executables; to hack new utility programs you also
need the headers and static libs in gromacs-dev. Linux kernel 2.4 or
later is STRONGLY recommended on Pentium III and later processors since
GROMACS then can use assembly loops with SSE instructions.
- Developed at science
- Sources inherited from project openSUSE:Factory
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Source Files
| Filename | Size | Changed |
|---|---|---|
| _constraints | 0000000279 279 Bytes | |
| _multibuild | 0000000084 84 Bytes | |
| gromacs-2022.3.tar.gz | 0040359623 38.5 MB | |
| gromacs.changes | 0000033797 33 KB | |
| gromacs.spec | 0000008849 8.64 KB | |
| manual-2022.3.pdf | 0013080874 12.5 MB | |
| regressiontests-2022.3.tar.gz | 0048615675 46.4 MB |
Revision 54 (latest revision is 59)
Dominique Leuenberger (dimstar_suse)
accepted
request 1034513
from
Atri Bhattacharya (badshah400)
(revision 54)
(Note that openmpi flavor build failure is un-related and is due to boo#1205139) - Use system muparser package, drop libmuparser2 subpackage - Use system zlib - Remove bogus/broken library package obsoletes and provides - Build openmpi version in separate _multibuild - Update to 2022.3
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