Use better data structure to implement ResidueType

[alexxy/gromacs.git] / src / gromacs / fileio / pdbio.cpp

diff --git a/src/gromacs/fileio/pdbio.cpp b/src/gromacs/fileio/pdbio.cpp
index 380e84dd353ee288ef26248ad73f7312f2301729..670d960f0bdd1892fff93a342294e26825234783 100644 (file)
--- a/src/gromacs/fileio/pdbio.cpp
+++ b/src/gromacs/fileio/pdbio.cpp
@@ -330,7 +330,7 @@ void write_pdbfile_indexed(FILE*          out,
 
     fprintf(out, "MODEL %8d\n", model_nr > 0 ? model_nr : 1);
 
-    ResidueType rt;
+    ResidueTypeMap rt;
     for (int ii = 0; ii < nindex; ii++)
     {
         int         i      = index[ii];