Merge branch 'release-2018' into master

[alexxy/gromacs.git] / src / gromacs / mdlib / mdebin.cpp

diff --git a/src/gromacs/mdlib/mdebin.cpp b/src/gromacs/mdlib/mdebin.cpp
index d18e8be1577f4b193b7fda3911f9beaf92953e21..b7c3513a4c67abaecb049e8be8cb70f03922a082 100644 (file)
--- a/src/gromacs/mdlib/mdebin.cpp
+++ b/src/gromacs/mdlib/mdebin.cpp
@@ -241,18 +241,6 @@ t_mdebin *init_mdebin(ener_file_t       fp_ene,
         {
             md->bEner[i] = TRUE;
         }
-        else if ((i == F_GBPOL) && ir->implicit_solvent == eisGBSA)
-        {
-            md->bEner[i] = TRUE;
-        }
-        else if ((i == F_NPSOLVATION) && ir->implicit_solvent == eisGBSA && (ir->sa_algorithm != esaNO))
-        {
-            md->bEner[i] = TRUE;
-        }
-        else if ((i == F_GB12) || (i == F_GB13) || (i == F_GB14))
-        {
-            md->bEner[i] = FALSE;
-        }
         else if ((i == F_ETOT) || (i == F_EKIN) || (i == F_TEMP))
         {
             md->bEner[i] = EI_DYNAMICS(ir->eI);