Change some domdec data members to RVec or IVec

[alexxy/gromacs.git] / src / gromacs / domdec / dump.cpp

diff --git a/src/gromacs/domdec/dump.cpp b/src/gromacs/domdec/dump.cpp
index 28db18d212d455e594929bc1b897e8a22b34eaa2..e0e1a549e7c0b527911402facb53b54421943e72 100644 (file)
--- a/src/gromacs/domdec/dump.cpp
+++ b/src/gromacs/domdec/dump.cpp
@@ -87,7 +87,7 @@ void write_dd_grid_pdb(const char* fn, int64_t step, gmx_domdec_t* dd, matrix bo
                 }
                 else
                 {
-                    if (d < ddbox->npbcdim && dd->nc[d] > 1)
+                    if (d < ddbox->npbcdim && dd->numCells[d] > 1)
                     {
                         tric[d][i] = box[i][d] / box[i][i];
                     }