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
Make AWH parameters proper C++
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
grompp.cpp
diff --git
a/src/gromacs/gmxpreprocess/grompp.cpp
b/src/gromacs/gmxpreprocess/grompp.cpp
index 67abdfc7ec663c5ae2bca8458e2b40e90de41c01..9bd9996437ca01dc38c42c3342692fb6502ca3c8 100644
(file)
--- a/
src/gromacs/gmxpreprocess/grompp.cpp
+++ b/
src/gromacs/gmxpreprocess/grompp.cpp
@@
-2412,7
+2412,7
@@
int gmx_grompp(int argc, char* argv[])
copy_mat(ir->compress, compressibility);
}
setStateDependentAwhParams(
- ir->awhParams,
+ ir->awhParams
.get()
,
*ir->pull,
pull,
state.box,