Remove support for implicit solvation

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / gpp_atomtype.h

diff --git a/src/gromacs/gmxpreprocess/gpp_atomtype.h b/src/gromacs/gmxpreprocess/gpp_atomtype.h
index 8197540305cb64cb8caf2fed45cd4dde8533abf8..66edce1ee2059f86a47130a878bcaea2ab2f832e 100644 (file)
--- a/src/gromacs/gmxpreprocess/gpp_atomtype.h
+++ b/src/gromacs/gmxpreprocess/gpp_atomtype.h
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2011,2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2011,2014,2015,2018, 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.
@@ -60,11 +60,6 @@ real get_atomtype_massA(int nt, gpp_atomtype_t at);
 real get_atomtype_massB(int nt, gpp_atomtype_t at);
 real get_atomtype_qA(int nt, gpp_atomtype_t at);
 real get_atomtype_qB(int nt, gpp_atomtype_t at);
-real get_atomtype_radius(int nt, gpp_atomtype_t at);
-real get_atomtype_vol(int nt, gpp_atomtype_t at);
-real get_atomtype_surftens(int nt, gpp_atomtype_t at);
-real get_atomtype_gb_radius(int nt, gpp_atomtype_t at);
-real get_atomtype_S_hct(int nt, gpp_atomtype_t at);
 int get_atomtype_ptype(int nt, gpp_atomtype_t at);
 int get_atomtype_batype(int nt, gpp_atomtype_t at);
 int get_atomtype_atomnumber(int nt, gpp_atomtype_t at);
@@ -82,22 +77,13 @@ void done_atomtype(gpp_atomtype_t at);
 
 int set_atomtype(int nt, gpp_atomtype_t at, struct t_symtab *tab,
                  t_atom *a, const char *name, t_param *nb,
-                 int bondatomtype,
-                 real radius, real vol, real surftens, int atomnumber,
-                 real gb_radius, real S_hct);
+                 int bondatomtype, int atomnumber);
 /* Set the values of an existing atom type nt. Returns nt on success or
    NOTSET on error. */
 
-int
-set_atomtype_gbparam(gpp_atomtype_t at, int i,
-                     real radius, real vol, real surftens,
-                     real gb_radius, real S_hct);
-
 int add_atomtype(gpp_atomtype_t at, struct t_symtab *tab,
                  t_atom *a, const char *name, t_param *nb,
-                 int bondatomtype,
-                 real radius, real vol, real surftens, int atomnumber,
-                 real gb_radius, real S_hct);
+                 int bondatomtype, int atomnumber);
 /* Add a complete new atom type to an existing atomtype structure. Returns
    the number of the atom type. */