- Registered on: 03/01/2018
- Last connection: 10/14/2019
- 04:43 PM GROMACS Revision cf10dc63: Remove or update comments containing 'group scheme'
- Change-Id: Ic2dea073b7cb2a9e3ed6dbb4fbeb14dfedd5cac3
- 10:25 PM GROMACS Revision 5d25fd69: Add some cool quotes
- Change-Id: Ib6a1565fb8cacf65523ec05e9fda52645d85a3de
- 02:31 PM GROMACS Task #3079 (Closed): Restore TPI support in mdrun
- TPI is no longer supported. There should be a release not and a note added to mdrun.
- 06:01 PM GROMACS Task #2947: make an end to end test for membed
- Is there a plan to introduce an integration test on membed once the bug is fixed?
- 09:56 AM GROMACS Revision 102447a5: Die with helpful note in case of incorrect input to editconf with -conect
- Previously editconf would give a cryptic error message
Condition: fio->xdr != nullptr
- 08:34 PM GROMACS Revision 9cc22661: fix formatting of editconf note
- Change-Id: I628fc820a176fdc4b019e5819e6fa650842024d4
- 05:49 PM GROMACS Bug #2922 (Rejected): mdrun confout puts box origin near zero
- If I run editconf to move the location of the box with e.g. -translate or -rotate flags, the box will be correspondin...
- 11:29 AM GROMACS Bug #2920 (Rejected): grompp writes tpr value of nstcalcenergy different than mdp value
- If you set nstcomm > nstcalcenergy, you will get a note that nstcomm is being set to nstcalcenergy. This will be refl...
- 08:33 PM GROMACS Task #2723: Update mdrun-performance.rst to clearly express the nature of task
- Sorry I will try to get to this soon. Helpful on this front was a conversation Christian and I had with the Scientifi...
- 04:07 PM GROMACS Task #2727: Move non-analysis functions out of gmxana
- Any script that currently uses make_ndx can trivially be updated by using the -on flag on select. There is a cost to ...
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