From f6dc6ca6e231457167df8a0ded5413de68f67714 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 6 Sep 2022 22:23:38 -0400 Subject: [PATCH] make certain there is a blank between Dihedral Coeffs an the type hint --- tools/msi2lmp/src/WriteDataFile.c | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tools/msi2lmp/src/WriteDataFile.c b/tools/msi2lmp/src/WriteDataFile.c index a6f1615809..63224db0f1 100644 --- 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,