Remove dysfunctional QMMM interface pt2

[alexxy/gromacs.git] / src / gromacs / mdlib / force.cpp

diff --git a/src/gromacs/mdlib/force.cpp b/src/gromacs/mdlib/force.cpp
index 6a6a124895c5b236e93f7ebc68e6bc3e99040312..671343c09b0d383ba9f629f70fe8045892ca6826 100644 (file)
--- a/src/gromacs/mdlib/force.cpp
+++ b/src/gromacs/mdlib/force.cpp
@@ -55,7 +55,6 @@
 #include "gromacs/math/vec.h"
 #include "gromacs/math/vecdump.h"
 #include "gromacs/mdlib/forcerec_threading.h"
-#include "gromacs/mdlib/qmmm.h"
 #include "gromacs/mdlib/rf_util.h"
 #include "gromacs/mdlib/wall.h"
 #include "gromacs/mdtypes/commrec.h"
@@ -125,12 +124,6 @@ void do_force_lowlevel(t_forcerec*                         fr,
 
     auto& forceWithVirial = forceOutputs->forceWithVirial();
 
-    /* do QMMM first if requested */
-    if (fr->bQMMM)
-    {
-        enerd->term[F_EQM] = calculate_QMMM(cr, &forceOutputs->forceWithShiftForces(), fr->qr);
-    }
-
     /* Call the short range functions all in one go. */
 
     if (ir->nwall)