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fixed multiple distance restraints with OpenMP
[alexxy/gromacs.git]
/
src
/
mdlib
/
minimize.c
diff --git
a/src/mdlib/minimize.c
b/src/mdlib/minimize.c
index 2dfe20bf491ab6338c5b6650c0cdb335eec35b99..5df3936cfbef96b8583e01a95ddd9e0b27c8efb0 100644
(file)
--- a/
src/mdlib/minimize.c
+++ b/
src/mdlib/minimize.c
@@
-387,7
+387,7
@@
void init_em(FILE *fplog, const char *title,
forcerec_set_excl_load(fr, *top, cr);
-
init_bonded_thread_force_reduction
(fr, &(*top)->idef);
+
setup_bonded_threading
(fr, &(*top)->idef);
if (ir->ePBC != epbcNONE && !fr->bMolPBC)
{