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Rmove dependency on Constraints object from compute_globals(...)
[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 b6c794b8e68ff5371315f3f43a8c9bdaf2f6368a..aad947007ea8c0744e5c211805ee66a695511875 100644
(file)
--- a/
src/gromacs/mdlib/md_support.h
+++ b/
src/gromacs/mdlib/md_support.h
@@
-129,7
+129,7
@@
void compute_globals(gmx_global_stat* gstat,
tensor shake_vir,
tensor total_vir,
tensor pres,
- gmx::
Constraints* constr
,
+ gmx::
ArrayRef<real> constraintsRmsdData
,
gmx::SimulationSignaller* signalCoordinator,
const matrix lastbox,
int* totalNumberOfBondedInteractions,