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Merge branch release-4-6
[alexxy/gromacs.git]
/
src
/
programs
/
mdrun
/
md.c
diff --git
a/src/programs/mdrun/md.c
b/src/programs/mdrun/md.c
index a5e558431c48968d301c3f0d43cb5f939f9aff7f..4c48b7266bd828dc97b5d65a55fc6ff6fff14a55 100644
(file)
--- a/
src/programs/mdrun/md.c
+++ b/
src/programs/mdrun/md.c
@@
-422,7
+422,7
@@
double do_md(FILE *fplog, t_commrec *cr, int nfile, const t_filenm fnm[],
make_local_shells(cr, mdatoms, shellfc);
}
-
init_bonded_thread_force_reduction
(fr, &top->idef);
+
setup_bonded_threading
(fr, &top->idef);
if (ir->pull && PAR(cr))
{