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Implement pull for modular simulator
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
md.cpp
diff --git
a/src/gromacs/mdrun/md.cpp
b/src/gromacs/mdrun/md.cpp
index 85c29398e012f82c5ae52164123238d7b92137ea..cd657319c00c8e95426c52e21527c526dbd11646 100644
(file)
--- a/
src/gromacs/mdrun/md.cpp
+++ b/
src/gromacs/mdrun/md.cpp
@@
-1624,7
+1624,7
@@
void gmx::LegacySimulator::do_md()
if (ir->bPull && ir->pull->bSetPbcRefToPrevStepCOM)
{
- updatePrevStepPullCom(pull_work, state);
+ updatePrevStepPullCom(pull_work, state
->pull_com_prev_step
);
}
enerd->term[F_DVDL_CONSTR] += dvdl_constr;