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
COM pulling options per coord, improved cylinder
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
domdec.cpp
diff --git
a/src/gromacs/domdec/domdec.cpp
b/src/gromacs/domdec/domdec.cpp
index e593445135590e945e214a80414fbfd8b4a8baae..00b643ea05978b41b5b395049751c851c6fdc8d9 100644
(file)
--- a/
src/gromacs/domdec/domdec.cpp
+++ b/
src/gromacs/domdec/domdec.cpp
@@
-9854,7
+9854,7
@@
void dd_partition_system(FILE *fplog,
set_constraints(constr, top_local, ir, mdatoms, cr);
}
- if (ir->
ePull != epullNO
)
+ if (ir->
bPull
)
{
/* Update the local pull groups */
dd_make_local_pull_groups(dd, ir->pull, mdatoms);