From 5ba3561d321f6a4696775124d2084dd90793419a Mon Sep 17 00:00:00 2001
From: Mark Abraham <mark.j.abraham@gmail.com>
Date: Fri, 19 Apr 2013 16:17:11 +0200
Subject: [PATCH] v-rescale works with tau-t >= 0

Bug introduced in c7a82654

Change-Id: Iee2d1c8fc5d34811dc022ffbe097114abc10030b
---
 src/mdlib/coupling.c | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/mdlib/coupling.c b/src/mdlib/coupling.c
index 0bfd9feb56..cfcfa0b9d7 100644
--- a/src/mdlib/coupling.c
+++ b/src/mdlib/coupling.c
@@ -1603,7 +1603,7 @@ 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];
-- 
2.11.4.GIT