Remove support for implicit solvation

[alexxy/gromacs.git] / src / gromacs / topology / idef.cpp

diff --git a/src/gromacs/topology/idef.cpp b/src/gromacs/topology/idef.cpp
index 4806c2a9ba889416ba5dba0afecc4fbac3f85ecc..652a36bb5d951cb6b82b1a2833c004d6d5e15722 100644 (file)
--- a/src/gromacs/topology/idef.cpp
+++ b/src/gromacs/topology/idef.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, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2018, 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.
@@ -273,10 +273,14 @@ void pr_iparams(FILE *fp, t_functype ftype, const t_iparams *iparams)
         case F_VSITEN:
             fprintf(fp, "n=%2d, a=%15.8e\n", iparams->vsiten.n, iparams->vsiten.a);
             break;
-        case F_GB12:
-        case F_GB13:
-        case F_GB14:
-            fprintf(fp, "sar=%15.8e, st=%15.8e, pi=%15.8e, gbr=%15.8e, bmlt=%15.8e\n", iparams->gb.sar, iparams->gb.st, iparams->gb.pi, iparams->gb.gbr, iparams->gb.bmlt);
+        case F_GB12_NOLONGERUSED:
+        case F_GB13_NOLONGERUSED:
+        case F_GB14_NOLONGERUSED:
+            // These could only be generated by grompp, not written in
+            // a .top file. Now that implicit solvent is not
+            // supported, they can't be generated, and the values are
+            // ignored if read from an old .tpr file. So there is
+            // nothing to print.
             break;
         case F_CMAP:
             fprintf(fp, "cmapA=%1d, cmapB=%1d\n", iparams->cmap.cmapA, iparams->cmap.cmapB);