From 6836021611257709afd3c7933b13912e46aba681 Mon Sep 17 00:00:00 2001 From: Yi Yao Date: Fri, 12 Jul 2024 05:16:31 +0000 Subject: [PATCH] remove the explicit constraint in the pbc box example --- testing/water_box_pbc.inp | 1 - 1 file changed, 1 deletion(-) diff --git a/testing/water_box_pbc.inp b/testing/water_box_pbc.inp index 2cb90ab..b004b05 100644 --- a/testing/water_box_pbc.inp +++ b/testing/water_box_pbc.inp @@ -9,5 +9,4 @@ pbc 31. 31. 31. structure water.pdb number 1000 - inside box 0. 0. 0. 31. 31. 31. end structure