Merge release-4-6 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 6214ed87732e0331e1067f6812f09cee6ad178cb..bd20652e75035d06eba8cb159f74da92931588f4 100644 (file)
--- a/src/gromacs/mdlib/coupling.c
+++ b/src/gromacs/mdlib/coupling.c
@@ -1631,7 +1631,7 @@ void vrescale_tcoupl(t_inputrec *ir, gmx_ekindata_t *ekind, real dt,
             Ek = trace(ekind->tcstat[i].ekinh);
         }
 
-        if (opts->tau_t[i] > 0 && opts->nrdf[i] > 0 && Ek > 0)
+        if (opts->tau_t[i] >= 0 && opts->nrdf[i] > 0 && Ek > 0)
         {
             Ek_ref1 = 0.5*opts->ref_t[i]*BOLTZ;
             Ek_ref  = Ek_ref1*opts->nrdf[i];