- Fixed a bug with \ref CONVERT_TO_FES and periodic variables, see \issue{441} (backported from v2.5.3).
- Fixed a bug with \ref CONVERT_TO_FES and periodic variables, see \issue{441} (backported from v2.5.3).
- More robust backup for output files when running over multiple processes
- More robust backup for output files when running over multiple processes
...
@@ -248,4 +246,10 @@ For users:
...
@@ -248,4 +246,10 @@ For users:
- Module VES: Fixed an off-by-one bug in the output of target distribution averages. The bug only affects the output and does not affect results. The bug also affected the output of coefficients when using a bias cutoff.
- Module VES: Fixed an off-by-one bug in the output of target distribution averages. The bug only affects the output and does not affect results. The bug also affected the output of coefficients when using a bias cutoff.
- Module VES: Made sure that all relevant output files are written out at the final step when shutting down the simulation. This solves issues reported by @PabloPiaggi with restarting when there is a mismatch been the output of files and the number of MD steps.
- Module VES: Made sure that all relevant output files are written out at the final step when shutting down the simulation. This solves issues reported by @PabloPiaggi with restarting when there is a mismatch been the output of files and the number of MD steps.
## Version 2.4.8
\plumednotmaintained
For users:
- Take into account `UNITS` when using MD codes that feeds one line at a time to PLUMED (e.g., OpenMM). See \issue{582}.
