make certain there is a blank between Dihedral Coeffs an the type hint

2022-09-06 22:23:38 -04:00
parent 2331f6ddd4
commit f6dc6ca6e2
1 changed files with 1 additions and 1 deletions
--- a/tools/msi2lmp/src/WriteDataFile.c
+++ b/tools/msi2lmp/src/WriteDataFile.c
@ -207,7 +207,7 @@ void WriteDataFile(char *nameroot)
        for ( j = 0; j < 6; j++)
          fprintf(DatF, " %10.4f",dihedraltypes[i].params[j]);

-        if (hintflag) fprintf(DatF,"# %s-%s-%s-%s\n",
+        if (hintflag) fprintf(DatF," # %s-%s-%s-%s\n",
                              atomtypes[dihedraltypes[i].types[0]].potential,
                              atomtypes[dihedraltypes[i].types[1]].potential,
                              atomtypes[dihedraltypes[i].types[2]].potential,