- Email: Mark.J.Abraham@gmail.com
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- Last connection: 06/18/2018
- 11:22 PM GROMACS Revision 4ed9d7b8: Update energy and trajectory frame types
- Introduced new classes that may eventually replace t_enxframe and
t_trxframe. Currently only used in tests that compa...
- 03:13 PM GROMACS Bug #2558 (Rejected): gmx polystat mis-uses nmol
- Ah no, nmol wasn't being postincremented after a loop. BlockRanges will do a better job of this in master
- 03:11 PM GROMACS Bug #2558 (Rejected): gmx polystat mis-uses nmol
- nmol is actually the number of entries in the molind array, which is one more than the number of molecules. Some of t...
- 01:48 PM GROMACS Feature #2556 (New): make default selections suitable for DNA and RNA
- At BioExcel Summer School, Ray Angana suggested that when make_ndx (and/or select) encounter DNA and RNA that they ge...
- 09:02 AM GROMACS Wiki edit: Release_checklist (#13)
- 02:02 PM GROMACS Revision 38eea667: Updated to prepare for 2018.3 release
- Change-Id: I0c33fcbdfcc0010b5a13cbbc5503c6a95df751dc
- 01:57 PM GROMACS Wiki edit: Release_checklist (#12)
- 11:51 AM GROMACS Wiki edit: Release_checklist (#11)
- 11:39 AM GROMACS Task #2539: Support hwloc 2.x.x
- GROMACS 2019 will support hwloc 1.x, and (once we get this working) also hwloc 2.x. So master branch will support bot...
- 10:50 AM GROMACS Bug #2487 (Closed): AWH covering detection delayed in certain cases
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