diff --git a/tools/cmdata/src/molfile/gromacsplugin.cpp b/tools/cmdata/src/molfile/gromacsplugin.cpp index f6e48cbc..e9985740 100644 --- a/tools/cmdata/src/molfile/gromacsplugin.cpp +++ b/tools/cmdata/src/molfile/gromacsplugin.cpp @@ -195,6 +195,7 @@ static int read_gro_timestep(void *v, int natoms, molfile_timestep_t *ts) { ts->beta = mdts.box->beta; ts->gamma = mdts.box->gamma; } + ts->physical_time = mdts.time; } mdio_tsfree(&mdts); return MOLFILE_SUCCESS; @@ -454,6 +455,7 @@ static int read_g96_timestep(void *v, int natoms, molfile_timestep_t *ts) { ts->beta = mdts.box->beta; ts->gamma = mdts.box->gamma; } + ts->physical_time = mdts.time; } mdio_tsfree(&mdts); return MOLFILE_SUCCESS; @@ -543,6 +545,8 @@ static int read_trr_timestep(void *v, int natoms, molfile_timestep_t *ts) { ts->beta = mdts.box->beta; ts->gamma = mdts.box->gamma; } + + ts->physical_time = mdts.time; } mdio_tsfree(&mdts); return MOLFILE_SUCCESS;