Merge release-2019 into master

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

diff --git a/src/gromacs/gmxpreprocess/toppush.cpp b/src/gromacs/gmxpreprocess/toppush.cpp
index d49e1dfa8fb877e906a4236794456b894fbb48b6..bd598b7b46d0d42c1bb4565c2a384df6adfffa59 100644 (file)
--- a/src/gromacs/gmxpreprocess/toppush.cpp
+++ b/src/gromacs/gmxpreprocess/toppush.cpp
@@ -547,7 +547,14 @@ void push_at (t_symtab *symtab, PreprocessingAtomTypes *at, PreprocessingBondAto
 
     if ((nr = at->atomTypeFromName(type)) != NOTSET)
     {
-        auto message = gmx::formatString("Overriding atomtype %s", type);
+        auto message = gmx::formatString
+                ("Atomtype %s was defined previously (e.g. in the forcefield files), "
+                "and has now been defined again. This could happen e.g. if you would "
+                "use a self-contained molecule .itp file that duplicates or replaces "
+                "the contents of the standard force-field files. You should check "
+                "the contents of your files and remove such repetition. If you know "
+                "you should override the previous definition, then you could choose "
+                "to suppress this warning with -maxwarn.", type);
         warning(wi, message);
         if ((nr = at->setType(nr, symtab, *atom, type, interactionType, batype_nr,
                               atomnr)) == NOTSET)
@@ -655,7 +662,13 @@ static void push_bondtype(InteractionsOfType              *bt,
                 else if (!haveWarned)
                 {
                     auto message = gmx::formatString
-                            ("Overriding %s parameters.%s",
+                            ("Bondtype %s was defined previously (e.g. in the forcefield files), "
+                            "and has now been defined again. This could happen e.g. if you would "
+                            "use a self-contained molecule .itp file that duplicates or replaces "
+                            "the contents of the standard force-field files. You should check "
+                            "the contents of your files and remove such repetition. If you know "
+                            "you should override the previous definition, then you could choose "
+                            "to suppress this warning with -maxwarn.%s",
                             interaction_function[ftype].longname,
                             (ftype == F_PDIHS) ?
                             "\nUse dihedraltype 9 to allow several multiplicity terms. Only consecutive "
@@ -1128,7 +1141,14 @@ void push_nbt(Directive d, t_nbparam **nbt, PreprocessingAtomTypes *atypes,
         }
         if (!bId)
         {
-            auto message = gmx::formatString("Overriding non-bonded parameters,");
+            auto message = gmx::formatString
+                    ("Non-bonded parameters were defined previously (e.g. in the forcefield files), "
+                    "and have now been defined again. This could happen e.g. if you would "
+                    "use a self-contained molecule .itp file that duplicates or replaces "
+                    "the contents of the standard force-field files. You should check "
+                    "the contents of your files and remove such repetition. If you know "
+                    "you should override the previous definitions, then you could choose "
+                    "to suppress this warning with -maxwarn.");
             warning(wi, message);
             fprintf(stderr, "  old:");
             for (i = 0; i < nrfp; i++)