From 90b2bac1c02b8d809cc112449de17e78f977f754 Mon Sep 17 00:00:00 2001 From: Carlo Camilloni Date: Thu, 23 Apr 2026 19:17:22 +0200 Subject: [PATCH] cmdata: now -b/-e work again --- tools/cmdata/src/molfile/gromacsplugin.cpp | 4 ++++ 1 file changed, 4 insertions(+) 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;