Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / legacyheaders / types / inputrec.h

diff --git a/src/gromacs/legacyheaders/types/inputrec.h b/src/gromacs/legacyheaders/types/inputrec.h
index 3380b12b50f13b677fb6a0c7923eb1b8ad612731..10eb0a74492302de10612e7352b69c2f39421839 100644 (file)
--- a/src/gromacs/legacyheaders/types/inputrec.h
+++ b/src/gromacs/legacyheaders/types/inputrec.h
@@ -337,9 +337,8 @@ typedef struct {
     int             nstlist;                 /* number of steps before pairlist is generated   */
     int             ndelta;                  /* number of cells per rlong                      */
     int             nstcomm;                 /* number of steps after which center of mass     */
-    /* motion is removed                               */
+                                             /* motion is removed                              */
     int             comm_mode;               /* Center of mass motion removal algorithm      */
-    int             nstcheckpoint;           /* checkpointing frequency                      */
     int             nstlog;                  /* number of steps after which print to logfile   */
     int             nstxout;                 /* number of steps after which X is output        */
     int             nstvout;                 /* id. for V                                      */
@@ -358,7 +357,6 @@ typedef struct {
     real            ewald_rtol_lj;           /* Real space tolerance for LJ-Ewald            */
     int             ewald_geometry;          /* normal/3d ewald, or pseudo-2d LR corrections */
     real            epsilon_surface;         /* Epsilon for PME dipole correction            */
-    gmx_bool        bOptFFT;                 /* optimize the fft plan at start               */
     int             ljpme_combination_rule;  /* Type of combination rule in LJ-PME          */
     int             ePBC;                    /* Type of periodic boundary conditions           */
     int             bPeriodicMols;           /* Periodic molecules                           */
@@ -422,7 +420,6 @@ typedef struct {
     real            orires_fc;               /* force constant for orientational restraints  */
     real            orires_tau;              /* time constant for memory function in orires    */
     int             nstorireout;             /* frequency of writing tr(SD) to enx           */
-    real            dihre_fc;                /* force constant for dihedral restraints (obsolete)      */
     real            em_stepsize;             /* The stepsize for updating                      */
     real            em_tol;                  /* The tolerance                          */
     int             niter;                   /* Number of iterations for convergence of      */