Fixes bug in the computation of Coefficient of Thermal Expansion
Between release-4-6 and release-5 an bug was introduced calling the
routine analyse_ener with the wrong flag. The flag bFluct can be set
to subtract the average before computing the ACF (which is a remnant
from old code which is being fixed in patch
https://gerrit.gromacs.org/#/c/4310/).
As a result of the incorrect usage of this flag to analyse_ener the stored
energy would be modified yielding an incorrect
Coefficient of Thermal Expansion. (By passing the -nmol option which is needed
for fluctuation property calculations the wrong option would be activated).
Change-Id: I303206c3118c2d5bb499ba4c04a94fe9de2c7992