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Add lambda state to dhdl.xvg with AWH fep
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
mimic.cpp
diff --git
a/src/gromacs/mdrun/mimic.cpp
b/src/gromacs/mdrun/mimic.cpp
index 96b3666369ff0775d219c8b00b1150d6aeabd5a8..92d183f08328fb497629d4f8d73c2118a0432a33 100644
(file)
--- a/
src/gromacs/mdrun/mimic.cpp
+++ b/
src/gromacs/mdrun/mimic.cpp
@@
-691,7
+691,6
@@
void gmx::LegacySimulator::do_mimic()
mdatoms->tmass,
enerd,
ir->fepvals.get(),
- ir->expandedvals.get(),
state->box,
PTCouplingArrays({ state->boxv,
state->nosehoover_xi,