diff --git a/CHANGELOG b/CHANGELOG index e1e076301a0106c8fc2436f27b0895397fcc8732..d17e0e33f582355b1b5440495626db663105c262 100644 --- a/CHANGELOG +++ b/CHANGELOG @@ -1,3 +1,7 @@ +version 1.2.1 +-------------- +* FIXED issue #39 Time scale in Gromacs converter was incorrect + version 1.2.0 -------------- * ADDED issue #27 Better error handling when an error occurs when running an analysis from the GUI diff --git a/Data/Jobs_reference_data/gromacs_reference.nc b/Data/Jobs_reference_data/gromacs_reference.nc index c77e6c094740dc4dddc684ed53e929e1fc481095..1c79d8e9dfc3d02dcd30a745e52645a6d9bb8b4d 100644 Binary files a/Data/Jobs_reference_data/gromacs_reference.nc and b/Data/Jobs_reference_data/gromacs_reference.nc differ diff --git a/Src/Framework/Jobs/Gromacs.py b/Src/Framework/Jobs/Gromacs.py index 6f86233ddbff62301e13a056db5a532f41c5a4a3..24653b7ef61601583572b568d37d5a7595d26fe3 100644 --- a/Src/Framework/Jobs/Gromacs.py +++ b/Src/Framework/Jobs/Gromacs.py @@ -109,7 +109,7 @@ class GromacsConverter(Converter): self._universe.foldCoordinatesIntoBox() # The current time. - t = times[0]*Units.fs + t = times[0]*Units.ps # Store a snapshot of the current configuration in the output trajectory. self._snapshot(data={'time': t})