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Fixed compilation issue corresponding to bug 468
author
David van der Spoel
<spoel@xray.bmc.uu.se>
Thu, 15 Jul 2010 13:48:13 +0000
(15:48 +0200)
committer
David van der Spoel
<spoel@xray.bmc.uu.se>
Thu, 15 Jul 2010 13:48:13 +0000
(15:48 +0200)
src/mdlib/force.c
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diff --git
a/src/mdlib/force.c
b/src/mdlib/force.c
index 106776f0d3323d9708b14318fac2aa7efb08752d..fea8beb451002a9bbbf75c879a2fb2fc1f979799 100644
(file)
--- a/
src/mdlib/force.c
+++ b/
src/mdlib/force.c
@@
-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++)