Refactor t_param to InteractionType

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

diff --git a/src/gromacs/gmxpreprocess/resall.cpp b/src/gromacs/gmxpreprocess/resall.cpp
index c276afa5da3650fff53f569a138a6b4264529df3..406a2db1c6bbcc9eef3dcc9d684ae650eadc30bb 100644 (file)
--- a/src/gromacs/gmxpreprocess/resall.cpp
+++ b/src/gromacs/gmxpreprocess/resall.cpp
@@ -68,12 +68,10 @@ PreprocessingAtomTypes read_atype(const char *ffdir, t_symtab *tab)
     double                   m;
     int                      nratt = 0;
     t_atom                  *a;
-    t_param                 *nb;
 
     std::vector<std::string> files = fflib_search_file_end(ffdir, ".atp", TRUE);
     snew(a, 1);
-    snew(nb, 1);
-    PreprocessingAtomTypes at;
+    PreprocessingAtomTypes   at;
 
     for (const auto &filename : files)
     {
@@ -94,7 +92,7 @@ PreprocessingAtomTypes read_atype(const char *ffdir, t_symtab *tab)
             if (sscanf(buf, "%s%lf", name, &m) == 2)
             {
                 a->m = m;
-                at.addType(tab, *a, name, nb, 0, 0);
+                at.addType(tab, *a, name, InteractionType({}, {}), 0, 0);
                 fprintf(stderr, "\rAtomtype %d", ++nratt);
                 fflush(stderr);
             }