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
Move responsibility for checking bondeds in reverse topology
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
md_support.h
diff --git
a/src/gromacs/mdlib/md_support.h
b/src/gromacs/mdlib/md_support.h
index aad947007ea8c0744e5c211805ee66a695511875..1975239425dbbbb5b37b2e7766d65f5aafb98ae4 100644
(file)
--- a/
src/gromacs/mdlib/md_support.h
+++ b/
src/gromacs/mdlib/md_support.h
@@
-132,7
+132,6
@@
void compute_globals(gmx_global_stat* gstat,
gmx::ArrayRef<real> constraintsRmsdData,
gmx::SimulationSignaller* signalCoordinator,
const matrix lastbox,
- int* totalNumberOfBondedInteractions,
gmx_bool* bSumEkinhOld,
int flags);