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- 11:44 AM GROMACS Bug #2148 (Closed): gmx solvate crashing or leaving gaps for hexagonal solvent box
- e are trying to merge a box containing a peripheral membrane protein with another box generated with memgen. Both box...
- 08:46 PM GROMACS Bug #1949: gmx solvate leaves empty temporary files (as do other gmx programs)
- Linux (CentOS).
- 03:07 PM GROMACS Bug #1949: gmx solvate leaves empty temporary files (as do other gmx programs)
- Turns out that genion also does this for me. Perhaps this is an issue with my gmx executable? Will diagnose further.
- 03:01 PM GROMACS Bug #1949 (Closed): gmx solvate leaves empty temporary files (as do other gmx programs)
- When running gmx solvate I end up with a file #temp.topoAUcbx.1# (or similar), which is empty, in addition to the exp...
- 10:52 AM GROMACS Revision aa1cfd57: gmx hbond no longer removes PBC when none is present
- Fixes #1662
- 04:08 PM GROMACS Bug #1668 (Rejected): Incorrect PBC removal in gmx hbond
- The description is incorrect. PBC removal should be along box vectors. This issue furthermore only arose in a now aba...
- 11:28 PM GROMACS Bug #1668 (Rejected): Incorrect PBC removal in gmx hbond
- The PBC removal in gmx hbond appears to be done along the box vectors instead of orthogonal vectors. pbc_correct_gem(...
- 04:02 PM GROMACS Bug #1662: g_hbond not running
- The bug is there in release-5-0. I'll fix it and try to backport to release-4-6.
- 11:05 AM GROMACS Bug #1662: g_hbond not running
- I think this is related to the absence of pbc and I can reproduce this with other gas-phase trajectories. (Why doesn'...
- 12:09 AM GROMACS Feature #1511 (Closed): add PDBx (ie mmcif) support
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