Fixed compilation issue corresponding to bug 468
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Thu, 15 Jul 2010 13:48:13 +0000 (15:48 +0200)
committerDavid van der Spoel <spoel@xray.bmc.uu.se>
Thu, 15 Jul 2010 13:48:13 +0000 (15:48 +0200)
src/mdlib/force.c

index 106776f0d3323d9708b14318fac2aa7efb08752d..fea8beb451002a9bbbf75c879a2fb2fc1f979799 100644 (file)
@@ -150,7 +150,6 @@ void do_force_lowlevel(FILE       *fplog,   gmx_large_int_t step,
     double  lam_i;
     real    dvdl_dum;
 
-    set_pbc(&pbc,fr->ePBC,box);
 #ifdef GMX_MPI
     double  t0=0.0,t1,t2,t3; /* time measurement for coarse load balancing */
 #endif
@@ -158,6 +157,7 @@ void do_force_lowlevel(FILE       *fplog,   gmx_large_int_t step,
 #define PRINT_SEPDVDL(s,v,dvdl) if (bSepDVDL) fprintf(fplog,sepdvdlformat,s,v,dvdl);
     
     GMX_MPE_LOG(ev_force_start);
+    set_pbc(&pbc,fr->ePBC,box);
     
     /* Reset box */
     for(i=0; (i<DIM); i++)