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Carsten Kutzner

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08/10/2017

12:56 PM GROMACS Revision f05b81c6: Corrected the PDF manual to reflect that all tools are called gmx <tool>
There were still a few occurrences of the old-style g_tool naming,
this patch removes. Deliberately left g_membed as ...

08/03/2017

12:27 PM GROMACS Revision 138379c4: Added missing .mdp file documentation for the enforced rotation module
Change-Id: I08398b0a53ef6154a6ac8005890e21f529659dd0
(cherry picked from commit 77fd72b9dc0af1432fb6ff8391f3842f69934...

07/10/2017

12:41 AM GROMACS Revision 77fd72b9: Added missing .mdp file documentation for the enforced rotation module
Change-Id: I08398b0a53ef6154a6ac8005890e21f529659dd0

06/23/2017

01:30 PM GROMACS Revision 4fbe1650: Fixed #2206 IMD interface malfunctions
Change-Id: Ia58586a281591cefea8a382a40e92e3e30b56b75
01:19 PM GROMACS Bug #2206: IMD interface malfunctions in 2016.3
I think the issue was introduced in
commit f70784b53df80a2c0cbe816e05e26e82d86c849a
"Converted imd module to C++."...

06/22/2017

11:51 AM GROMACS Bug #2075: ICC17u1 on KNL fails ED regressiontest
I am unable to reproduce the problem. Using ICC 17 now.
Log file opened on Thu Jun 22 11:47:12 2017
Host: knl...
11:25 AM GROMACS Bug #2075: ICC17u1 on KNL fails ED regressiontest
With ICC 16.0.1 the ED tests work as expected on KNL.

06/16/2017

02:52 PM GROMACS Revision 3f1eb0a0: Fixed a consistency check in make_edi for flooding
If one sets up a flooding .edi input file with gmx make_edi,
the code should check that one does not use of the last ...

06/09/2017

12:51 AM GROMACS Revision 675bfc76: Moved essential dynamics initialization call into do_md()
- init_edsam is now called in do_md() in the same code block
where the membed and the swap code gets initialized
- ...
04:14 PM GROMACS Revision a2efd1c8: Adopt and document implementation policy for MD modules
This approach concisely expresses intent in a way that a tool/compiler
could enforce, and which provides a hint to di...

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