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-5-1 into release-2016
[alexxy/gromacs.git]
/
src
/
programs
/
mdrun
/
md.cpp
diff --git
a/src/programs/mdrun/md.cpp
b/src/programs/mdrun/md.cpp
index 2a49aba4a37b3d20df5bb7b49f472fbf1f96000c..06c25f321404e012b870cfff79c5044308431b7e 100644
(file)
--- a/
src/programs/mdrun/md.cpp
+++ b/
src/programs/mdrun/md.cpp
@@
-421,8
+421,6
@@
double gmx::do_md(FILE *fplog, t_commrec *cr, int nfile, const t_filenm fnm[],
{
top = gmx_mtop_generate_local_top(top_global, ir->efep != efepNO);
- forcerec_set_excl_load(fr, top);
-
state = serial_init_local_state(state_global);
atoms2md(top_global, ir, 0, NULL, top_global->natoms, mdatoms);