diff --git a/examples/md/nak/NaK.nw b/examples/md/nak/NaK.nw index 310a29d838..5c3115d915 100644 --- a/examples/md/nak/NaK.nw +++ b/examples/md/nak/NaK.nw @@ -2,6 +2,7 @@ start NaK-rtdb prepare system NaK + free modify atom 1:Na final type K solvate cube 2.0 write NaK_em.rst