- Email: Mark.J.Abraham@gmail.com
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- Last connection: 08/03/2016
- 07:58 PM GROMACS Revision 699bd499: Stop using gmx_fatal in grompp
- Added warning_error_and_exit to issue an error that describes the
location in the input file, and then halt processin...
- 06:07 PM GROMACS Revision 70f69e25: Remove hacks for outdated BlueGene support
- GMX_BLUEGENE hasn't been a thing for a while now.
XL compiler is no longer supported on BG/Q (no C++11 support will ...
- 01:23 AM GROMACS Bug #2039: mdrun -pinstride defaults are too confusing
- Currently @gmx mdrun -ntmpi 1 -ntomp 6 -pinoffset 0@ on a 6-core node with two hyperthreads per core places a thread ...
- 01:19 AM GROMACS Bug #2039 (New): mdrun -pinstride defaults are too confusing
- In a recent thread on gmx-users (https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2016-August/108043.html...
- 03:18 PM GROMACS Task #1323: determine future of existing tools for 5.0
- Some discussion of possible future directions of trjconv took place at #2037
- 09:30 PM GROMACS Bug #2037 (Accepted): trjconv produces gro files unreadable by VMD
- 09:30 PM GROMACS Bug #2037: trjconv produces gro files unreadable by VMD
- Thanks. For a workaround you can do @gmx trjconv -f for_eq.pdb -o trjconv.gro -ndec 3@.
There's at least three asp...
- 10:21 PM GROMACS Feature #2034: Unit tests for bonded forces
- Indeed. I have some WIP lying around somewhere, if/when I get time to code again.
- 03:58 PM GROMACS Bug #2033: Tabulated wall potentials don't work
- This got accidentally broken in commit:e5a42060d55, so doesn't affect 5.1
- 11:55 PM Regression tests suite Revision c4a3ce1d: Merge branch release-2016
- No conflicts
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