From: Mark Abraham <mark.j.abraham@gmail.com>
Date: Sat, 20 Sep 2014 10:48:41 +0000 (+0200)
Subject: Fixed minor issue with NPT conserved energy
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?p=alexxy%2Fgromacs.git;a=commitdiff_plain;h=e336499626008e8ff06b1648c1b7afbab38c949b;hp=e336499626008e8ff06b1648c1b7afbab38c949b

Fixed minor issue with NPT conserved energy

The value of the number of degrees of freedom in a group is a real,
but it was being truncated to an integer before promoting it back to a
real. This is wrong, whether or not the number can reasonably be
non-integral. This only affected the conserved energy quantity,
not the kinetic or total energy used for coupling and output.

Change-Id: I5fcb6428dc0e333cabd79262cc2a9cffa5fec03a
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