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David van der Spoel

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05/01/2017

08:38 PM GROMACS Revision 36837a55: Xpm test for gmx clustsize
Made computation of RGB colors for matrix double precision.
Removed printing of binary information in xpm files
sinc...

04/03/2017

05:18 PM GROMACS Revision 8ed275d4: Fixed histogram code
Change-Id: Ie8aadf16c6cf46450b49ceea4ee77bdb642acc06

03/15/2017

12:57 PM GROMACS Bug #2140 (Closed): Coulomb energy with cutoff schemes verlet and group
12:56 PM GROMACS Bug #2140 (Rejected): Coulomb energy with cutoff schemes verlet and group
This is a side effect of you not setting the coulomb-modifier flag. By default this gives
coulomb-modifier = Potenti...

03/14/2017

03:19 PM GROMACS Bug #2032 (Closed): Nose-Hoover multiple time stepping issue
Let's close this. I have not been able to see a difference due to this fix as Berk indicates.

03/12/2017

10:11 AM GROMACS Revision f4dd51d8: Added tests for gmx clustsize.
Some bone headed stuff to allow development of a new
version later. Unfortunately this now touches code
outside the a...

03/06/2017

04:02 PM GROMACS Feature #2132 (New): Intermediate code for xvg handling
The transition from old analysis tools to new ones seems to be a big hurdle as no existing tools have been ported. Co...

03/04/2017

12:37 PM GROMACS Feature #2129 (Closed): gmx mindist -or -respertime has an unmarked comment at the top of the .xvg
12:37 PM GROMACS Feature #2129 (Fix uploaded): gmx mindist -or -respertime has an unmarked comment at the top of t...
Fixed and merged.
12:36 PM GROMACS Revision e5242964: Removes rogue printing to xvg file in gmx mindist
-xvg none is now adhered to, and printing is preceded by
a comment.
Fixes #2129
Change-Id: Idf7135c7e74ea17747e0f5c...

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