Improved check of if only forces are computed in do_pairs()

[alexxy/gromacs.git] / src / gromacs / listed-forces / listed-forces.cpp

diff --git a/src/gromacs/listed-forces/listed-forces.cpp b/src/gromacs/listed-forces/listed-forces.cpp
index 32a8bc97ecb4f044e94b0b3bd1788dd24b1a1a1e..d0fc37e7bb50a083067603331ef69527c833c78a 100644 (file)
--- a/src/gromacs/listed-forces/listed-forces.cpp
+++ b/src/gromacs/listed-forces/listed-forces.cpp
@@ -386,7 +386,7 @@ calc_one_bond(int thread,
            extended to support calling from multiple threads. */
         do_pairs(ftype, nbn, iatoms+nb0, idef->iparams, x, f, fshift,
                  pbc, g, lambda, dvdl, md, fr,
-                 bCalcEnerVir, grpp, global_atom_index);
+                 computeForcesOnly, grpp, global_atom_index);
         v = 0;
     }