diff --git a/template/00.md/preheat/run.in b/template/00.md/preheat/run.in index a34a24b..c34bca0 100644 --- a/template/00.md/preheat/run.in +++ b/template/00.md/preheat/run.in @@ -1,4 +1,4 @@ -potential ./nep89.txt +potential ./nep.txt velocity 100 ensemble npt_mttk temp 100 400 aniso 0 0