Optional computation of fluct. props in g_energy. Fixes #954
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Thu, 16 Aug 2012 07:45:41 +0000 (09:45 +0200)
committerDavid van der Spoel <spoel@xray.bmc.uu.se>
Thu, 16 Aug 2012 13:33:22 +0000 (15:33 +0200)
commit3b218ec2d3d9ba4a56cee2259cf1763bccebe41a
tree117728a15baf48cb4332b97e1acb080cb14ac819
parent28598957dd02e0999d2f9aea2849b35fd38afb37
Optional computation of fluct. props in g_energy. Fixes #954

Added a command line option -fluct_props to turn on the computation
of heat capacity etc. in g_energy. This prevents a warning message
from appearing on the screen each time the program is run.

Change-Id: I0cac44494ec5a366762d4d0a915146298d2ce1e0
src/tools/gmx_energy.c