Remove inputrec from initialize_lambdas signature

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

diff --git a/src/gromacs/mdrun/minimize.cpp b/src/gromacs/mdrun/minimize.cpp
index b115acdbec8a0f8740e15461362d531e2109186a..79eaaf0a57f833b720f18ffb2e4bf18ef77cf9c9 100644 (file)
--- a/src/gromacs/mdrun/minimize.cpp
+++ b/src/gromacs/mdrun/minimize.cpp
@@ -394,8 +394,15 @@ static void init_em(FILE*                fplog,
     }
     int*                fep_state = MASTER(cr) ? &state_global->fep_state : nullptr;
     gmx::ArrayRef<real> lambda    = MASTER(cr) ? state_global->lambda : gmx::ArrayRef<real>();
-    initialize_lambdas(
-            fplog, *ir, gmx::arrayRefFromArray(ir->opts.ref_t, ir->opts.ngtc), MASTER(cr), fep_state, lambda);
+    initialize_lambdas(fplog,
+                       ir->efep,
+                       ir->bSimTemp,
+                       *ir->fepvals,
+                       ir->simtempvals->temperatures,
+                       gmx::arrayRefFromArray(ir->opts.ref_t, ir->opts.ngtc),
+                       MASTER(cr),
+                       fep_state,
+                       lambda);
 
     if (ir->eI == IntegrationAlgorithm::NM)
     {