gmx wham uses conversion from kJ to kcal inconsistent with the rest of GROMACS - Redmine #1841
Archive from user: James Barnett
It’s hard coded and uses a factor of 4.1868 instead of 4.184. Line 1150 in gromacs/gmxana/gmx_wham.cp
(from redmine: issue id 1841, created on 2015-10-08 by gmxdefault, closed on 2015-10-13)
- Changesets:
- Revision a1c6f9be by James Barnett on 2015-10-12T12:32:38Z:
gmx wham: Use macros for units and conversions.
Also fixes #1841.
Change-Id: Id810fe0c0df82e0f9a05c294144a036534d4856c