Remove support for implicit solvation

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

diff --git a/src/gromacs/mdlib/mdebin.cpp b/src/gromacs/mdlib/mdebin.cpp
index 49361183ff28f63d1784259d58bf7bede083590d..3858ba527df6bda7016cbd9fa2cb4f6474404ff5 100644 (file)
--- a/src/gromacs/mdlib/mdebin.cpp
+++ b/src/gromacs/mdlib/mdebin.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -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);