Merge release-5-0 into master

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

diff --git a/src/gromacs/mdlib/qmmm.c b/src/gromacs/mdlib/qmmm.c
index a5582fab5839b1555860888d33870f274cc7eeff..4e85721b9a91e9c56616b52b91799254d599307e 100644 (file)
--- a/src/gromacs/mdlib/qmmm.c
+++ b/src/gromacs/mdlib/qmmm.c
@@ -196,7 +196,7 @@ real call_QMroutine(t_commrec gmx_unused *cr, t_forcerec gmx_unused *fr, t_QMrec
 #elif defined GMX_QMMM_GAUSSIAN
             QMener = call_gaussian(cr, fr, qm, mm, f, fshift);
 #elif defined GMX_QMMM_ORCA
-            QMener = call_orca(cr, fr, qm, mm, f, fshift);
+            QMener = call_orca(fr, qm, mm, f, fshift);
 #else
             gmx_fatal(FARGS, "Ab-initio calculation only supported with Gamess, Gaussian or ORCA.");
 #endif
@@ -769,7 +769,7 @@ void init_QMMMrec(t_commrec  *cr,
 #elif defined GMX_QMMM_GAUSSIAN
             init_gaussian(cr, qr->qm[0], qr->mm);
 #elif defined GMX_QMMM_ORCA
-            init_orca(cr, qr->qm[0], qr->mm);
+            init_orca(qr->qm[0]);
 #else
             gmx_fatal(FARGS, "Ab-initio calculation only supported with Gamess, Gaussian or ORCA.");
 #endif