diff --git a/gromacs/pbc.c b/gromacs/pbc.c index d5320fa..412e088 100644 --- a/gromacs/pbc.c +++ b/gromacs/pbc.c @@ -226,6 +226,6 @@ void setupPbc(Atom *atom, Parameter *param) { atom->Nclusters = atom->Nclusters_local + Nghost + 1; // Update created ghost clusters positions - updatePbc(atom, param, 1); + cpuUpdatePbc(atom, param, 1); DEBUG_MESSAGE("setupPbc end\n"); }