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Merge "fixing rerun with free energy + .xtc or .gro" into release-4-6
author
Mark Abraham
<mark.j.abraham@gmail.com>
Fri, 10 May 2013 09:45:08 +0000
(11:45 +0200)
committer
Gerrit Code Review
<gerrit@gerrit.gromacs.org>
Fri, 10 May 2013 09:45:08 +0000
(11:45 +0200)
src/gmxlib/trxio.c
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diff --git
a/src/gmxlib/trxio.c
b/src/gmxlib/trxio.c
index e42d128875f15b0d36ab8fef6f9323acae4ee052..5822627fba5ef01d0eccd22f742b35577a1afcba 100644
(file)
--- a/
src/gmxlib/trxio.c
+++ b/
src/gmxlib/trxio.c
@@
-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;