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Paul Bauer

  • Registered on: 10/06/2017
  • Last connection: 04/18/2018

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Today

12:46 PM GROMACS Revision 512b36f7: Change image conversion to only be build once
Change to CMake so that the image conversion needed for the web version
of the reference manual is only done once.
A...

04/21/2018

03:16 PM GROMACS Revision dbe0a574: Convert manual from LaTeX to Markup
Manual has been automatically converted from *.tex to *.rst using
pandoc (after passing through the conversion script...
03:10 PM GROMACS Revision 1982b675: Second change tracking commit
Another intermediate commit to ensure proper change tracking for the work on the reference manual
This commit change...
03:09 PM GROMACS Revision 060e2969: Intermediate commit to track changes to manual
This is just an intermediate commit to make sure git properly tracks the
changes to the files for the manual, and is ...

04/19/2018

03:10 PM GROMACS Bug #2483: gmx dump writes mdp files that can not be parsed by grompp
From checking the code for readir and pr_inputrec it seems to be a conflict between the input bool values accepted ("...

04/18/2018

06:52 PM GROMACS Bug #2483 (New): gmx dump writes mdp files that can not be parsed by grompp
While checking some tpr files for an unrelated bug I found out that grompp is unable to process mdp files provided by...
10:55 AM GROMACS Revision 540f4951: Remove obsolete variable prec gro file output
It seems like the help message for the -ndec option in trjconv has never
been updated to indicate that gro files can ...
09:45 AM GROMACS Bug #2467 (Closed): gmx trjconv -skip 0 leads to segfault

04/17/2018

05:35 PM GROMACS Bug #2479 (Closed): gmx_mtop c++ change exposing bugs in gmx trjconv
05:34 PM GROMACS Bug #2474: Double free/corruption for gmx solvate when topol.tpr explicitly listed as input argument and gmx built with mpi
this one might be related as well to #2479

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