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- 02:45 PM GROMACS Bug #3403: solvation free energy with couple-intramol set to no
- Applied in changeset commit:da9026923650548e3b421eb144e7ec02fced5ee1.
- 02:34 PM GROMACS Revision da902692: A check for perturbed listed pairs beyond rlist
- Excluded atoms pairs should be within the pairlist cut-off, as
otherwise long-range corrections are not applied. This...
- 10:34 AM GROMACS Revision a6dc459b: Fix pull fatal error message
- Fix pull group indices in fatal error message for geometries with
more than two groups.
- 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...
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