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Merge release-5-0 into master
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
coupling.c
diff --git
a/src/gromacs/mdlib/coupling.c
b/src/gromacs/mdlib/coupling.c
index fd8d11f05372e1f92724e8be257a6223bca25006..3eb1d2ff2b354ca15422deba20f5fcff0ba73485 100644
(file)
--- a/
src/gromacs/mdlib/coupling.c
+++ b/
src/gromacs/mdlib/coupling.c
@@
-1520,7
+1520,7
@@
void vrescale_tcoupl(t_inputrec *ir, gmx_int64_t step,
Ek_new = vrescale_resamplekin(Ek, Ek_ref, opts->nrdf[i],
opts->tau_t[i]/dt,
-
ir->ld_seed, step
);
+
step, ir->ld_seed
);
/* Analytically Ek_new>=0, but we check for rounding errors */
if (Ek_new <= 0)