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- 10:50 AM GROMACS Bug #676: g_pme_error does not work with threads
- OK. If it has been in the lookup tables, then it is most probably gone, because the new error estimate is based on an...
- 05:07 PM GROMACS Bug #676: g_pme_error does not work with threads
- Have you still an idea, where the indexing bug was. The problem with threads is solved in a new upcoming version, as ...
- 07:06 PM GROMACS Bug #767: electrostatic forces with PME and DD
- Should we comment out just the if statement, or also the following line assigning the error pointer.
- 03:16 PM GROMACS Bug #774 (Closed): flag -mol in g_msd
- The tool g_msd gives inconsistent results with the flag -mol. If the diffusion coefficient is calculated for a single...
- 06:31 PM GROMACS Bug #767 (Closed): electrostatic forces with PME and DD
over the weekend I realized that the electrostatic forces calculated in parallel with DD and PME vary dras...
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