gromacs-plumed (science/gromacs) Updated: 3 years, 2 months ago Add to my watchlist

Molecular dynamics package designed for simulations of proteins, lipids, and nucleic acids.: (THIS PORT INSTALLS A VERSION OF GROMACS PATCHED WITH PLUMED)

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 PORT INSTALLS A VERSION OF GROMACS PATCHED WITH PLUMED)

Version: 2021.3 License: LGPL-2.1 GitHub
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Builder Build Number Start Time Elapsed Time Watcher Build Status
10.15 19422 2020-01-06 10:59:45 0:10:15 1835 build successful
10.6 4399 2019-11-23 21:32:58 0:01:12 1868 failed install-dependencies
10.6.x86_64 8761 2019-11-17 15:24:20 0:09:50 1868 build successful
10.8 7794 2019-11-15 20:40:50 0:12:35 1865 build successful
10.7 8886 2019-11-14 22:10:43 0:09:26 1865 build successful
10.12 94244 2019-06-28 19:49:26 0:04:42 24655 failed install-port
10.13 59574 2019-06-28 18:49:51 0:03:55 16634 failed install-port
10.10 89702 2019-06-28 18:44:23 0:04:41 25714 failed install-port
10.14 33774 2019-06-28 18:42:07 0:04:12 7351 failed install-port
10.9 91827 2019-06-28 18:41:41 0:04:51 25660 failed install-port
10.11 89184 2019-06-28 18:38:16 0:03:48 25668 failed install-port