diff --git a/adaptiveumbrella/wham2d.py b/adaptiveumbrella/wham2d.py index 8b6379f..96e6e1b 100644 --- a/adaptiveumbrella/wham2d.py +++ b/adaptiveumbrella/wham2d.py @@ -74,7 +74,7 @@ class WHAM2DRunner(UmbrellaRunner): borders = self.get_wham_borders() - cmd = "{exec} Px={px} {min_x} {max_x} {frames_x} Py={py} {min_y} {max_y} {frames_y} {tol} {temperature} 0 {metafile} {outfile} 0".format( + cmd = "{exec} Px={px} {min_x} {max_x} {frames_x} Py={py} {min_y} {max_y} {frames_y} {tol} {temperature} 0 {metafile} {outfile} {mask}".format( exec=self.WHAM_EXEC, px=self.whamconfig['Px'], min_x=borders[0], @@ -87,7 +87,8 @@ class WHAM2DRunner(UmbrellaRunner): tol=self.whamconfig['tolerance'], temperature=self.whamconfig['temperature'], metafile=metafile_path, - outfile=output_path + outfile=output_path, + mask=1 ) if self.verbose: print(cmd)