Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / mdlib / coupling.c

diff --git a/src/gromacs/mdlib/coupling.c b/src/gromacs/mdlib/coupling.c
index b0fe96ea04934c74952588f8ffdcd4dae964295e..1632690ebe01dd6e78482389744edc61459c3867 100644 (file)
--- a/src/gromacs/mdlib/coupling.c
+++ b/src/gromacs/mdlib/coupling.c
@@ -900,13 +900,11 @@ void trotter_update(t_inputrec *ir,gmx_large_int_t step, gmx_ekindata_t *ekind,
 
     trotter_seq = trotter_seqlist[trotter_seqno];
 
-    /* signal we are returning if nothing is going to be done in this routine */
-    if ((trotter_seq[0] == etrtSKIPALL)  || !(bCouple))
+    if ((trotter_seq[0] == etrtSKIPALL) || (!bCouple))
     {
         return;
     }
-
-    dtc = ir->nsttcouple*ir->delta_t;
+    dtc = ir->nsttcouple*ir->delta_t;  /* This is OK for NPT, because nsttcouple == nstpcouple is enforcesd */
     opts = &(ir->opts); /* just for ease of referencing */
     ngtc = opts->ngtc;
     assert(ngtc>0);