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Paul Bauer

  • Registered on: 10/06/2017
  • Last connection: 01/22/2018

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01/23/2018

01:38 PM GROMACS Feature #2130: n2t files are undocumented
I added some minimal information in one of my new patches recently (https://gerrit.gromacs.org/7487)

01/18/2018

02:43 PM GROMACS Revision 4023149e: Add contribution information to webpage
We'll need a link from a high-level page on the new website to these
details, but the details and cross-links make se...

01/16/2018

05:16 PM GROMACS Task #2359: r2018 docs tweaks/corrections necessary
I'm working on some more things for master (transferring stuff from the old pages), but I don't think those need to g...
02:01 PM GROMACS Task #2383: Add JSON interface to write and read files
After discussing things with Mark in some detail, we came up with some preliminary work flow on what might make sense...

01/15/2018

04:41 PM GROMACS Feature #1842: Replace XML with JSON
I also started looking into the library you mentioned, as it is pure C++ and has already test coverage and everything...
03:49 PM GROMACS Task #2383: Add JSON interface to write and read files
First general question is which JSON library should be used (from the list here: https://www.json.org/). There are se...
03:47 PM GROMACS Task #2383 (New): Add JSON interface to write and read files
This issue is meant to keep track of the effort to add a new file reading and writing interface to GROMACS based on J...

01/12/2018

04:49 PM GROMACS Bug #2196: Unexpected behavior of gmx insert-molecules with -ip option.
I tried reproducing this with release-2018, and don't get the same behavior. Could you try the new release to check t...
03:52 PM GROMACS Bug #2231: convert-tpr aborts when saving subset of the system
Just tried to reproduce this on the release-2018 branch and there it seems to work fine with gcc-4.8. Can you try it ...

01/04/2018

11:13 AM GROMACS Revision 0a5e6f65: Fix gmx msd when using COM removal and molecules
Changed order of code to actually assign correct coordinates before
copying the data, and modified data structure siz...

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