This commit is contained in:
Axel Kohlmeyer
2024-07-25 17:00:35 -04:00
parent 1fa18a45a8
commit 891e97ecf5

View File

@ -590,14 +590,14 @@ void Molecule::read(int flag)
} else if (keyword == "Dihedrals") {
if (ndihedrals == 0)
error->all(FLERR,
"Found Dihedrals section"
"Found Dihedrals section "
"but no ndihedrals setting in header");
dihedralflag = tag_require = 1;
dihedrals(flag, line);
} else if (keyword == "Impropers") {
if (nimpropers == 0)
error->all(FLERR,
"Found Impropers section"
"Found Impropers section "
"but no nimpropers setting in header");
improperflag = tag_require = 1;
impropers(flag, line);