Merge "fixing rerun with free energy + .xtc or .gro" into release-4-6
authorMark Abraham <mark.j.abraham@gmail.com>
Fri, 10 May 2013 09:45:08 +0000 (11:45 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Fri, 10 May 2013 09:45:08 +0000 (11:45 +0200)
src/gmxlib/trxio.c

index e42d128875f15b0d36ab8fef6f9323acae4ee052..5822627fba5ef01d0eccd22f742b35577a1afcba 100644 (file)
@@ -167,6 +167,7 @@ void clear_trxframe(t_trxframe *fr, gmx_bool bFirst)
     fr->bStep   = FALSE;
     fr->bTime   = FALSE;
     fr->bLambda = FALSE;
+    fr->bFepState = FALSE;
     fr->bAtoms  = FALSE;
     fr->bPrec   = FALSE;
     fr->bX      = FALSE;
@@ -185,6 +186,7 @@ void clear_trxframe(t_trxframe *fr, gmx_bool bFirst)
         fr->step    = 0;
         fr->time    = 0;
         fr->lambda  = 0;
+        fr->fep_state = 0;
         fr->atoms   = NULL;
         fr->prec    = 0;
         fr->x       = NULL;