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- 08:42 AM GROMACS Revision 73db8f9e: Update gmx msd documentation
- Removed comment on weighted fitting for determining the diffusion
coefficients. This weighting had been removed at so...
- 09:54 AM GROMACS Revision dd801b38: Fix dHdl and foreign energy clearing at checkpointing
- The code copying dH/dl and foreign lambda energies to the checkpoint
data structures copied the wrong way around lead...
- 11:10 AM GROMACS Revision bc24af91: Move implementation to cpp file
- Fixes issue with missing GMX_ASSERT as well.
- 10:57 AM GROMACS Revision 4034513c: Disable MTS with SD integrator
- The SD integrator requires different damping coefficients for
the different MTS forces and we currently don't have th...
- 09:05 AM GROMACS Revision e4ca7eed: Copy position restraint parameters with MTS
- Fixes #3784
- 11:47 AM GROMACS Revision 0f33370f: Correct AWH initial histogram size
- The initial histogram size for AWH incorrectly contained
a Gaussian geometry factor and also treated higher dimension...
- 09:54 AM GROMACS Revision b6460d51: Refactor MTS preprocessing and checking
- Separated the checking the MTS requirements on other parts of inputrec
from the setup of MTS. Replaced assertMtsRequi...
- 10:16 PM GROMACS Revision bd80f27d: Fix pull code bug with DD and atom sets
- The local pull groups were constructed before instead of after
constructing the local atom sets, which were needed fo...
- 03:19 PM GROMACS Revision 457e3d82: Add MTS support for pull and AWH
- Also adds a test for pulling with MTS.
- 03:26 PM GROMACS Revision ef43c940: Remove incorrect cycle suppression
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