Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / readir.c

diff --git a/src/gromacs/gmxpreprocess/readir.c b/src/gromacs/gmxpreprocess/readir.c
index db3595984e1621bba7a007ef5a1f3993c360e712..8bef766c87ec6a9ddc881661c9b5caeb96fc5c06 100644 (file)
--- a/src/gromacs/gmxpreprocess/readir.c
+++ b/src/gromacs/gmxpreprocess/readir.c
@@ -3892,7 +3892,8 @@ void triple_check(const char *mdparin, t_inputrec *ir, gmx_mtop_t *sys,
 
     if (EI_DYNAMICS(ir->eI) && !EI_SD(ir->eI) && ir->eI != eiBD &&
         ir->comm_mode == ecmNO &&
-        !(absolute_reference(ir, sys, FALSE, AbsRef) || ir->nsteps <= 10))
+        !(absolute_reference(ir, sys, FALSE, AbsRef) || ir->nsteps <= 10) &&
+        !ETC_ANDERSEN(ir->etc))
     {
         warning(wi, "You are not using center of mass motion removal (mdp option comm-mode), numerical rounding errors can lead to build up of kinetic energy of the center of mass");
     }