From 3f019099b3dc0b5a5e49743e63cad487fb21acfc Mon Sep 17 00:00:00 2001 From: keitaroyam Date: Fri, 22 Mar 2024 18:21:38 +0900 Subject: [PATCH] AX: energy type to DUM --- a/AX.cif | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/a/AX.cif b/a/AX.cif index 794c4cb84..961696cf7 100644 --- a/a/AX.cif +++ b/a/AX.cif @@ -19,4 +19,4 @@ _chem_comp_atom.partial_charge _chem_comp_atom.x _chem_comp_atom.y _chem_comp_atom.z -AX AX O O 0.000 0.000 0.000 0.000 +AX AX O DUM 0.000 0.000 0.000 0.000