Add TNG writing and reading support

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

diff --git a/src/gromacs/mdlib/sim_util.c b/src/gromacs/mdlib/sim_util.c
index b580f0c47b3d4fb4339080ed0d7940f3c68aa294..a06fae500db41631d1317db9fd62a16f6747c625 100644 (file)
--- a/src/gromacs/mdlib/sim_util.c
+++ b/src/gromacs/mdlib/sim_util.c
@@ -2705,7 +2705,7 @@ void init_md(FILE *fplog,
              t_nrnb *nrnb, gmx_mtop_t *mtop,
              gmx_update_t *upd,
              int nfile, const t_filenm fnm[],
-             gmx_mdoutf_t **outf, t_mdebin **mdebin,
+             gmx_mdoutf_t *outf, t_mdebin **mdebin,
              tensor force_vir, tensor shake_vir, rvec mu_tot,
              gmx_bool *bSimAnn, t_vcm **vcm, unsigned long Flags)
 {
@@ -2761,8 +2761,8 @@ void init_md(FILE *fplog,
     {
         *outf = init_mdoutf(nfile, fnm, Flags, cr, ir, mtop, oenv);
 
-        *mdebin = init_mdebin((Flags & MD_APPENDFILES) ? NULL : (*outf)->fp_ene,
-                              mtop, ir, (*outf)->fp_dhdl);
+        *mdebin = init_mdebin((Flags & MD_APPENDFILES) ? NULL : mdoutf_get_fp_ene(*outf),
+                              mtop, ir, mdoutf_get_fp_dhdl(*outf));
     }
 
     if (ir->bAdress)