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Add lambda state to dhdl.xvg with AWH fep
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
rerun.cpp
diff --git
a/src/gromacs/mdrun/rerun.cpp
b/src/gromacs/mdrun/rerun.cpp
index 3ee37edb73684a536091234b68cba7c93d402561..3b39e7a6bbb7bafebfc5acb08892165944feb079 100644
(file)
--- a/
src/gromacs/mdrun/rerun.cpp
+++ b/
src/gromacs/mdrun/rerun.cpp
@@
-779,7
+779,6
@@
void gmx::LegacySimulator::do_rerun()
mdatoms->tmass,
enerd,
ir->fepvals.get(),
- ir->expandedvals.get(),
state->box,
PTCouplingArrays({ state->boxv,
state->nosehoover_xi,