number of degrees of freedom can be fractional -- in NHC_trotter, 'nd' has to be...

diff --git a/src/mdlib/coupling.c b/src/mdlib/coupling.c
index fb384823a24dedb5be4aaf0c1aecc364f2adfc2e..feb2bdeb47cdddfb6619b03b5af0af12079ce158 100644 (file)
--- a/src/mdlib/coupling.c
+++ b/src/mdlib/coupling.c
@@ -59,8 +59,8 @@ static void NHC_trotter(t_grpopts *opts,int nvar, gmx_ekindata_t *ekind,real dtf
 {
     /* general routine for both barostat and thermostat nose hoover chains */
 
-    int   i,j,mi,mj,jmax,nd;
-    double Ekin,Efac,reft,kT;
+    int   i,j,mi,mj,jmax;
+    double Ekin,Efac,reft,kT,nd;
     double dt;
     t_grp_tcstat *tcstat;
     double *ivxi,*ixi;