Fix confout.gro with energy minimization
commitab3cfb7977af9ce1ab86a0d06b16ca370845dc28
authorBerk Hess <hess@kth.se>
Mon, 15 May 2017 15:40:10 +0000 (15 17:40 +0200)
committerBerk Hess <hess@kth.se>
Tue, 16 May 2017 07:01:22 +0000 (16 09:01 +0200)
tree7eafa6bc0e18e522a59d59aa48a5b51a8b000da0
parentb88ebed6898eb8a2bd5869c975c1228ef6031d93
Fix confout.gro with energy minimization

Commit 5b88d3c18 caused the confout.gro with energy minimization
without domain decomposition to be the same as the starting structure.

Fixes #2179.

Change-Id: I02389d47573bca0d730608a831ceb393cfec792f
src/gromacs/mdlib/minimize.cpp