From 805061b8a31134437db1bf1067ad416246c47d93 Mon Sep 17 00:00:00 2001 From: Jack Lawrence Date: Tue, 28 Jan 2025 14:58:56 -0500 Subject: [PATCH] comment fixes --- examples/flex-EFP/Scripts/make_AAs.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/examples/flex-EFP/Scripts/make_AAs.py b/examples/flex-EFP/Scripts/make_AAs.py index 03993f8..401899e 100644 --- a/examples/flex-EFP/Scripts/make_AAs.py +++ b/examples/flex-EFP/Scripts/make_AAs.py @@ -111,7 +111,7 @@ def make_inp(fragment, QMs, POLs): elif(fragment[4].split()[1][0]=='C'): charge=-1 else: - charge = '0' + charge = 0 if fragment[4].split()[1] in known_amino_acids: filename = amino_acid_dict[fragment[4].split()[1]] + '_' + fragment[4].split()[0] + '_' + fragment[0].split()[3] + '.inp'