gromacs (science/gromacs) Updated: 4 years, 3 months ago Add to my watchlist

Molecular dynamics package designed for simulations of proteins, lipids, and nucleic acids.

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.

Version: 2021.3 License: LGPL-2.1 GitHub
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Builder Build Number Start Time Elapsed Time Watcher Build Status
10.8 61120 2021-09-23 13:29:08 0:00:49 19898 failed install-dependencies
10.12 159259 2021-09-23 13:26:24 0:05:04 48555 failed install-port
10.7 68882 2021-09-23 13:22:29 0:00:52 22039 failed install-dependencies
11.arm64 29741 2021-09-23 12:55:24 0:00:50 10212 failed install-port
11 21421 2021-02-10 17:22:57 0:01:18 2890 failed install-dependencies
11.arm64 11736 2021-02-10 10:51:04 0:00:21 3030 failed install-dependencies
10.15 19421 2020-01-06 10:49:53 0:09:50 1835 build successful
10.6 4398 2019-11-23 21:17:51 0:15:05 1868 build successful
10.6.x86_64 8760 2019-11-17 15:14:25 0:09:52 1868 build successful
10.8 7793 2019-11-15 20:21:14 0:19:34 1865 build successful
10.7 8885 2019-11-14 22:01:15 0:09:26 1865 build successful
10.12 94243 2019-06-28 19:38:47 0:10:35 24655 build successful
10.13 59573 2019-06-28 18:39:04 0:10:24 16634 build successful
10.10 89701 2019-06-28 18:26:48 0:17:32 25714 build successful
10.14 33773 2019-06-28 18:26:29 0:15:33 7351 build successful
10.9 91826 2019-06-28 18:26:11 0:15:24 25660 build successful
10.11 89183 2019-06-28 18:25:50 0:12:18 25668 build successful