Eliminate mdlib/mdrun.h

[alexxy/gromacs.git] / src / gromacs / pulling / pull_rotation.cpp

diff --git a/src/gromacs/pulling/pull_rotation.cpp b/src/gromacs/pulling/pull_rotation.cpp
index a2c3210fb55cd36338379dce9faa77bdaa1e82a4..81a41009a0661b67ca5ffe1062f4515f2c162ddd 100644 (file)
--- a/src/gromacs/pulling/pull_rotation.cpp
+++ b/src/gromacs/pulling/pull_rotation.cpp
@@ -61,11 +61,11 @@
 #include "gromacs/math/utilities.h"
 #include "gromacs/math/vec.h"
 #include "gromacs/mdlib/groupcoord.h"
-#include "gromacs/mdlib/mdrun.h"
 #include "gromacs/mdlib/sim_util.h"
 #include "gromacs/mdtypes/commrec.h"
 #include "gromacs/mdtypes/inputrec.h"
 #include "gromacs/mdtypes/md_enums.h"
+#include "gromacs/mdtypes/mdrunoptions.h"
 #include "gromacs/mdtypes/state.h"
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/timing/cyclecounter.h"
@@ -3594,7 +3594,7 @@ static int calc_mpi_bufsize(const gmx_enfrot *er)
 std::unique_ptr<gmx::EnforcedRotation>
 init_rot(FILE *fplog, t_inputrec *ir, int nfile, const t_filenm fnm[],
          const t_commrec *cr, gmx::LocalAtomSetManager * atomSets, const t_state *globalState, gmx_mtop_t *mtop, const gmx_output_env_t *oenv,
-         const MdrunOptions &mdrunOptions)
+         const gmx::MdrunOptions &mdrunOptions)
 {
     int             nat_max = 0;       /* Size of biggest rotation group */
     rvec           *x_pbc   = nullptr; /* Space for the pbc-correct atom positions */