biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
| inline |
side by side
Merge branch release-4-6 into master
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
init.c
diff --git
a/src/gromacs/mdlib/init.c
b/src/gromacs/mdlib/init.c
index b332c84bfed6c6ad4639dd6a4cf551878cc4ed0c..710789c354ed6d09f0dd010fcb897e15312009a9 100644
(file)
--- a/
src/gromacs/mdlib/init.c
+++ b/
src/gromacs/mdlib/init.c
@@
-181,7
+181,7
@@
void set_state_entries(t_state *state, const t_inputrec *ir, int nnodes)
init_ekinstate(&state->ekinstate, ir);
init_energyhistory(&state->enerhist);
- init_df_history(&state->dfhist, ir->fepvals->n_lambda
, ir->expandedvals->init_wl_delta
);
+ init_df_history(&state->dfhist, ir->fepvals->n_lambda);
}