Replace nbnxn_buffer_flags_t with vector

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / grompp.cpp

diff --git a/src/gromacs/gmxpreprocess/grompp.cpp b/src/gromacs/gmxpreprocess/grompp.cpp
index 84c5d9932861bc66db36327a4b195ec679eea182..960e3e196b4275a5bc7b3170b11bb47c135ec83b 100644 (file)
--- a/src/gromacs/gmxpreprocess/grompp.cpp
+++ b/src/gromacs/gmxpreprocess/grompp.cpp
@@ -2384,6 +2384,8 @@ int gmx_grompp(int argc, char* argv[])
     gmx::write_IMDgroup_to_file(ir->bIMD, ir, &state, &sys, NFILE, fnm);
 
     sfree(opts->define);
+    sfree(opts->wall_atomtype[0]);
+    sfree(opts->wall_atomtype[1]);
     sfree(opts->include);
     sfree(opts);
     for (auto& mol : mi)