GROMACS development

12/14/2018

11:35 PM GROMACS Revision 68e69bf2: Fixed tests

Change-Id: I1425af7aa1142bb19d555e5f5fa8d2735f059c6e

11:28 PM GROMACS Revision 1f0fcbc2: Merge branch 'alexandria' of ssh://gerrit.gromacs.org:29418/gromacs into alexandria

Change-Id: Ibddcaa95f59f4e982700a582d075c7d43b3e5a73

11:28 PM GROMACS Revision a38e75d2: Updated

Change-Id: I8de37e1027e1ac5018ecb43315724de661e419e0

12/13/2018

05:23 PM GROMACS Revision df7a57b4: Rebased

Change-Id: I9e0e94043a1bdc7ff77f5b618725fc8f55f6f625

12/09/2018

09:59 AM GROMACS Task #2795 (New): Incorporate regressiontests into core gromacs

To simplify testing the separate regression test set should be merged into core gromacs.

12/06/2018

10:47 PM GROMACS Task #1862: Fully replace t_topology by gmx_mtop_t

For analysis tools, we can spend effort to remove t_topology in place (as I did in a patch to gmx msd https://gerrit....

12/05/2018

03:58 PM GROMACS Revision 88825ae4: Added new testing code for normal mode analysis.

Part of #2771
Change-Id: Ifb44841b36be5076fe8d77d5982876f881fdc69b

12/04/2018

10:41 PM GROMACS Revision 4070beeb: Small update to mdrun tests.

To be able to run tests with different cut-offs new
variable rcoulomb and rvdw are introduced.
To be able to do high...

11:53 AM GROMACS Task #1323: determine future of existing tools for

I would suggest to keep sigeps as it is small and sometimes useful. However when the t_pargs are removed this will ha...

11:53 AM GROMACS Revision 2ea2d842: Removed gmx morph

Part of #1323
Change-Id: Ife56a50e61e4859fa20a39a1be59e828d511fd09