Convert t_vcm to C++, plugging a memory leak

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

diff --git a/src/gromacs/mdlib/sim_util.cpp b/src/gromacs/mdlib/sim_util.cpp
index 469e7b74588d9dd493a1845224489cbcb0346f7f..22b13e8825e22fd287f953bdb614ac901b9a8879 100644 (file)
--- a/src/gromacs/mdlib/sim_util.cpp
+++ b/src/gromacs/mdlib/sim_util.cpp
@@ -2944,7 +2944,7 @@ void init_md(FILE *fplog,
              gmx_mdoutf_t *outf, t_mdebin **mdebin,
              tensor force_vir, tensor shake_vir,
              tensor total_vir, tensor pres, rvec mu_tot,
-             gmx_bool *bSimAnn, t_vcm **vcm,
+             gmx_bool *bSimAnn,
              gmx_wallcycle_t wcycle)
 {
     int  i;
@@ -2988,11 +2988,6 @@ void init_md(FILE *fplog,
         update_annealing_target_temp(ir, ir->init_t, upd ? *upd : nullptr);
     }
 
-    if (vcm != nullptr)
-    {
-        *vcm = init_vcm(fplog, &mtop->groups, ir);
-    }
-
     if (EI_DYNAMICS(ir->eI) && !mdrunOptions.continuationOptions.appendFiles)
     {
         if (ir->etc == etcBERENDSEN)