Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / readpull.c

diff --git a/src/gromacs/gmxpreprocess/readpull.c b/src/gromacs/gmxpreprocess/readpull.c
index efe746c61d74bf627c28a2dea53c785de18c5a9a..87a4d38992bdf038435807d300daca899bad3e8d 100644 (file)
--- a/src/gromacs/gmxpreprocess/readpull.c
+++ b/src/gromacs/gmxpreprocess/readpull.c
@@ -289,12 +289,15 @@ void set_pull_init(t_inputrec *ir,gmx_mtop_t *mtop,rvec *x,matrix box,
   t_pbc     pbc;
   int       ndim,g,m;
   double    t_start,tinvrate;
-  real      lambda;
+  real      lambda=0;
   rvec      init;
   dvec      dr,dev;
 
   /* need to pass in the correct masses if free energy is on*/
-  lambda = ir->fepvals->all_lambda[efptMASS][ir->fepvals->init_fep_state];
+  if (ir->efep)
+  {
+      lambda = ir->fepvals->all_lambda[efptMASS][ir->fepvals->init_fep_state];
+  }
   init_pull(NULL,ir,0,NULL,mtop,NULL,oenv,lambda,FALSE,0); 
   md = init_mdatoms(NULL,mtop,ir->efep);
   atoms2md(mtop,ir,0,NULL,0,mtop->natoms,md);