Add lambda state to dhdl.xvg with AWH fep

[alexxy/gromacs.git] / src / gromacs / mdrun / minimize.cpp

diff --git a/src/gromacs/mdrun/minimize.cpp b/src/gromacs/mdrun/minimize.cpp
index 42b34a45ebb65dfad3a75720547581f460664f7d..eec144faf42604fa6ae6a41a0607abc4bf580253 100644 (file)
--- a/src/gromacs/mdrun/minimize.cpp
+++ b/src/gromacs/mdrun/minimize.cpp
@@ -1391,7 +1391,6 @@ void LegacySimulator::do_cg()
                                          mdatoms->tmass,
                                          enerd,
                                          nullptr,
-                                         nullptr,
                                          nullBox,
                                          PTCouplingArrays(),
                                          0,
@@ -1842,7 +1841,6 @@ void LegacySimulator::do_cg()
                                              mdatoms->tmass,
                                              enerd,
                                              nullptr,
-                                             nullptr,
                                              nullBox,
                                              PTCouplingArrays(),
                                              0,
@@ -2149,7 +2147,6 @@ void LegacySimulator::do_lbfgs()
                                          mdatoms->tmass,
                                          enerd,
                                          nullptr,
-                                         nullptr,
                                          nullBox,
                                          PTCouplingArrays(),
                                          0,
@@ -2671,7 +2668,6 @@ void LegacySimulator::do_lbfgs()
                                              mdatoms->tmass,
                                              enerd,
                                              nullptr,
-                                             nullptr,
                                              nullBox,
                                              PTCouplingArrays(),
                                              0,
@@ -2964,7 +2960,6 @@ void LegacySimulator::do_steep()
                                                  mdatoms->tmass,
                                                  enerd,
                                                  nullptr,
-                                                 nullptr,
                                                  nullBox,
                                                  PTCouplingArrays(),
                                                  0,