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05:47 PM GROMACS Bug #2311: NVML compilation issues
OK, thank you. I will ask our adminstrator to upgrade the drivers.
01:29 PM GROMACS Bug #2311: NVML compilation issues
nvidia-smi says:
NVIDIA-SMI 375.66 Driver Version: 375.66
Is this insufficient for Cuda ...
01:24 PM GROMACS Bug #2311: NVML compilation issues
With -DGMX_USE_NVML=OFF, Gromacs 2018-beta1 compiles fine with Cuda 9 and gcc 6.3, but mdrun does not find...
12:41 PM GROMACS Bug #2311: NVML compilation issues
Gromacs 2018 beta1,
on a Scientific Linux, 12-core Xeon, GTX 1080, differnet gcc compiliers, linking stops with:


11:21 PM GROMACS Revision a177da89: Fixed bug in gmx wham for reading pullx files.
Because the order of columns in the pullx files has changed recently, gmx wham
did not pick the reaction coordinate f...


05:58 PM GROMACS Revision 3f6aff77: Fixed bug in gmx insert-molecules.
With option -ip, and if all trials were unsuccessful, a molecule was
eventually incorrectly placed at 0/0/0 due to a ...


04:04 PM GROMACS Revision 9aef7701: Updated g_wham for the new pull setup
This bring g_wham up to date with the new pull setup where the pull
type and geometry can now be set per coordinate a...


02:06 PM GROMACS Revision c5418567: OpenMP parallelization of g_wham
The inner loops of g_wham now allow OpenMP parallelization.
The computed PMFs are identical up to 5 digits at differe...


08:58 PM GROMACS Revision a9f0dd85: Fixed non-working flat-bottom posres code.
Change-Id: I905ba495981370bd9346909a707a61e10a852907


03:13 PM GROMACS Feature #1346: COM pulling increased flexibility and clarification
We would be happy if multiple reference groups would be possible. Such that for each pull group, an mdp options speci...

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