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Move computeSlowForces into stepWork
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
constr.cpp
diff --git
a/src/gromacs/mdlib/constr.cpp
b/src/gromacs/mdlib/constr.cpp
index 6f591d62b47566818caba718b90915338f040198..49d682320906e12184951599239dd2528767fb26 100644
(file)
--- a/
src/gromacs/mdlib/constr.cpp
+++ b/
src/gromacs/mdlib/constr.cpp
@@
-928,6
+928,8
@@
void Constraints::Impl::setConstraints(gmx_localtop_t* top,
{
// We are using the local topology, so there are only
// F_CONSTR constraints.
+ GMX_RELEASE_ASSERT(idef->il[F_CONSTRNC].empty(),
+ "Here we should not have no-connect constraints");
make_shake_sblock_dd(shaked.get(), idef->il[F_CONSTR]);
}
else