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Make pull with COM from previous step work with MPI
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
md_support.cpp
diff --git
a/src/gromacs/mdlib/md_support.cpp
b/src/gromacs/mdlib/md_support.cpp
index 1de02364faac63864af381efad3d07e325c46f0c..85fac9fa337f725876684c61f46b8c78f9630e23 100644
(file)
--- a/
src/gromacs/mdlib/md_support.cpp
+++ b/
src/gromacs/mdlib/md_support.cpp
@@
-622,6
+622,6
@@
void set_state_entries(t_state *state, const t_inputrec *ir)
if (ir->pull && ir->pull->bSetPbcRefToPrevStepCOM)
{
- state->flags |= (1<<estP
REVSTEPCOM
);
+ state->flags |= (1<<estP
ULLCOMPREVSTEP
);
}
}