Fix for lack of COM removal for md-vv

At some point, we seemed to have lost COM removal for md-vv! Currently, putting in into 4.6,
will need to be merged forward.  Replaces https://gerrit.gromacs.org/#/c/4467/, which was
first checked into master, rather than 4.6.

Fixes #1651

Change-Id: I7776f4ad9b5b9458f294171f52b3581a04691250

diff --git a/src/kernel/md.c b/src/kernel/md.c
index feb50055d54650f8201e877adaa2bd68c7c7b16f..ce334372843d4899141b06bffa821f28b99ba61c 100644 (file)
--- a/src/kernel/md.c
+++ b/src/kernel/md.c
@@ -1348,6 +1348,7 @@ double do_md(FILE *fplog, t_commrec *cr, int nfile, const t_filenm fnm[],
                                     | (bTemp ? CGLO_TEMPERATURE : 0)
                                     | (bPres ? CGLO_PRESSURE : 0)
                                     | (bPres ? CGLO_CONSTRAINT : 0)
+                                    | (bStopCM ? CGLO_STOPCM : 0)
                                     | ((iterate.bIterationActive) ? CGLO_ITERATE : 0)
                                     | (bFirstIterate ? CGLO_FIRSTITERATE : 0)
                                     | CGLO_SCALEEKIN