Remove .tpa, .tpb, .tpx, .trj files. Part of #1500.

[alexxy/gromacs.git] / src / programs / mdrun / runner.cpp

diff --git a/src/programs/mdrun/runner.cpp b/src/programs/mdrun/runner.cpp
index afe6022a0cdb1568abfdad5b9464ac0897cd7c55..864b2b729e6e2a2d462e0638b6d36a35ed75120e 100644 (file)
--- a/src/programs/mdrun/runner.cpp
+++ b/src/programs/mdrun/runner.cpp
@@ -35,6 +35,8 @@
  * the research papers on the package. Check out http://www.gromacs.org.
  */
 
+#include "gmxpre.h"
+
 #include "config.h"
 
 #include <algorithm>
@@ -47,36 +49,36 @@
 #include <unistd.h>
 #endif
 
-#include "typedefs.h"
-#include "oenv.h"
-#include "force.h"
-#include "mdrun.h"
-#include "md_logging.h"
-#include "md_support.h"
-#include "network.h"
-#include "names.h"
-#include "disre.h"
-#include "orires.h"
-#include "pme.h"
-#include "mdatoms.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/oenv.h"
+#include "gromacs/legacyheaders/force.h"
+#include "gromacs/legacyheaders/mdrun.h"
+#include "gromacs/legacyheaders/md_logging.h"
+#include "gromacs/legacyheaders/md_support.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/disre.h"
+#include "gromacs/legacyheaders/orires.h"
+#include "gromacs/legacyheaders/pme.h"
+#include "gromacs/legacyheaders/mdatoms.h"
 #include "repl_ex.h"
 #include "deform.h"
-#include "qmmm.h"
-#include "domdec.h"
-#include "coulomb.h"
-#include "constr.h"
-#include "mvdata.h"
-#include "checkpoint.h"
+#include "gromacs/legacyheaders/qmmm.h"
+#include "gromacs/legacyheaders/domdec.h"
+#include "gromacs/legacyheaders/coulomb.h"
+#include "gromacs/legacyheaders/constr.h"
+#include "gromacs/legacyheaders/mvdata.h"
+#include "gromacs/legacyheaders/checkpoint.h"
 #include "gromacs/topology/mtop_util.h"
-#include "sighandler.h"
-#include "txtdump.h"
-#include "gmx_detect_hardware.h"
-#include "gmx_omp_nthreads.h"
+#include "gromacs/legacyheaders/sighandler.h"
+#include "gromacs/legacyheaders/txtdump.h"
+#include "gromacs/legacyheaders/gmx_detect_hardware.h"
+#include "gromacs/legacyheaders/gmx_omp_nthreads.h"
 #include "gromacs/gmxpreprocess/calc_verletbuf.h"
 #include "membed.h"
-#include "gmx_thread_affinity.h"
-#include "inputrec.h"
-#include "main.h"
+#include "gromacs/legacyheaders/gmx_thread_affinity.h"
+#include "gromacs/legacyheaders/inputrec.h"
+#include "gromacs/legacyheaders/main.h"
 
 #include "gromacs/essentialdynamics/edsam.h"
 #include "gromacs/fileio/tpxio.h"
@@ -96,7 +98,7 @@
 #include "corewrap.h"
 #endif
 
-#include "gpu_utils.h"
+#include "gromacs/legacyheaders/gpu_utils.h"
 
 typedef struct {
     gmx_integrator_t *func;
@@ -1101,7 +1103,7 @@ int mdrunner(gmx_hw_opt_t *hw_opt,
     if (SIMMASTER(cr))
     {
         /* Read (nearly) all data required for the simulation */
-        read_tpx_state(ftp2fn(efTPX, nfile, fnm), inputrec, state, NULL, mtop);
+        read_tpx_state(ftp2fn(efTPR, nfile, fnm), inputrec, state, NULL, mtop);
 
         if (inputrec->cutoff_scheme != ecutsVERLET &&
             ((Flags & MD_TESTVERLET) || getenv("GMX_VERLET_SCHEME") != NULL))