Completely remove charge groups

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / toppush.cpp

diff --git a/src/gromacs/gmxpreprocess/toppush.cpp b/src/gromacs/gmxpreprocess/toppush.cpp
index ff06eb8428b45cd14bc446d3020ea6c7d3bbea64..4f2a8d760dae569b942a55035312b2c2f6774805 100644 (file)
--- a/src/gromacs/gmxpreprocess/toppush.cpp
+++ b/src/gromacs/gmxpreprocess/toppush.cpp
@@ -1385,32 +1385,17 @@ static void push_atom_now(t_symtab *symtab, t_atoms *at, int atomnr,
     at->nr++;
 }
 
-static void push_cg(t_block *block, int *lastindex, int index, int a)
-{
-    if (((block->nr) && (*lastindex != index)) || (!block->nr))
-    {
-        /* add a new block */
-        block->nr++;
-        srenew(block->index, block->nr+1);
-    }
-    block->index[block->nr] = a + 1;
-    *lastindex              = index;
-}
-
-void push_atom(t_symtab *symtab, t_block *cgs,
-               t_atoms *at, PreprocessingAtomTypes *atypes, char *line, int *lastcg,
+void push_atom(t_symtab *symtab,
+               t_atoms *at, PreprocessingAtomTypes *atypes, char *line,
                warninp *wi)
 {
-    int           nr, ptype;
+    int           ptype;
     int           cgnumber, atomnr, type, typeB, nscan;
     char          id[STRLEN], ctype[STRLEN], ctypeB[STRLEN],
                   resnumberic[STRLEN], resname[STRLEN], name[STRLEN], check[STRLEN];
     double        m, q, mb, qb;
     real          m0, q0, mB, qB;
 
-    /* Make a shortcut for writing in this molecule  */
-    nr = at->nr;
-
     /* Fixed parameters */
     if (sscanf(line, "%s%s%s%s%s%d",
                id, ctype, resnumberic, resname, name, &cgnumber) != 6)
@@ -1469,8 +1454,6 @@ void push_atom(t_symtab *symtab, t_block *cgs,
         }
     }
 
-    push_cg(cgs, lastcg, cgnumber, nr);
-
     push_atom_now(symtab, at, atomnr, atypes->atomNumberFromAtomType(type),
                   type, ctype, ptype, resnumberic,
                   resname, name, m0, q0, typeB,