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- 03:21 PM GROMACS Feature #2791 (In Progress): Implement a module for lambda-dynamics simulations (lambda_site module)
- 02:01 PM GROMACS Bug #2781 (Closed): mdrun 2018 using SD integrator segfaults when attempting to read from checkpoint file
- We have a small mixture system of water/alkanol using the SD integrator. It runs fine and stable in v. 2018, however ...
- 01:13 PM GROMACS Bug #2778: Some pictures appear too small in the web reference manual
- Just tested this again. I am post 2019-beta3, so I1c49d683d971a5bf0b0ce217f7e9ecd60603e6e6 is in.
However, make webp...
- 11:27 AM GROMACS Bug #2778: Some pictures appear too small in the web reference manual
- I found out that the problem I originally reported (wrong rotation of some figures) was not caused by GROMACS but ult...
- 02:19 PM GROMACS Bug #2778 (Closed): Some pictures appear too small in the web reference manual
- In the Analysis section e.g. (analysis.rst)
Fig. 50 The window of gmx view showing a box of water
- 12:56 PM GROMACS Bug #2757 (Closed): mdrun refuses to start with .cpt if nsteps is -1 in .tpr
- Should be reproducible with any .tpr that has nsteps -1 and a checkpoint file.
Error was introduced in commit 4dcb...
- 04:58 PM GROMACS Task #2569: announce deprecations in GROMACS 2019
- Mark Abraham wrote:
> Carsten Kutzner wrote:
> > mdrun-only builds are extremely useful on heterogeneous clusters. ...
- 01:30 PM GROMACS Task #2569: announce deprecations in GROMACS 2019
- mdrun-only builds are extremely useful on heterogeneous clusters. When I build a specific GROMACS version, I build ev...
- 03:05 PM GROMACS Bug #2075: ICC17u1 on KNL fails ED regressiontest
- Probably not.
- 02:45 PM GROMACS Revision 960bfd69: Introduce helper classes for force provider input and output
- This patch introduces two structs, ForceProviderInput and ForceProviderOutput,
which are used for calling IForceProvi...
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