Merge release-5-0 into release-5-1

[alexxy/gromacs.git] / src / gromacs / mdlib / compute_io.c

diff --git a/src/gromacs/mdlib/compute_io.c b/src/gromacs/mdlib/compute_io.c
index 7835ef41126aec39daa69bf081f3b42f52ae573f..825447dba8a4ab34d664c0e7444f14171200766d 100644 (file)
--- a/src/gromacs/mdlib/compute_io.c
+++ b/src/gromacs/mdlib/compute_io.c
@@ -132,7 +132,7 @@ double compute_io(t_inputrec *ir, int natoms, gmx_groups_t *groups,
                     ndh_tot += 1;
                 }
                 /* as data blocks: 1 real per dH point */
-                cio += div_nsteps(nsteps, ir->fepvals->nstdhdl)*(ndh+ndhdl)*sizeof(real);
+                cio += div_nsteps(nsteps, ir->fepvals->nstdhdl)*ndh_tot*sizeof(real);
             }
             else
             {