From 249da23beb93b7dc83f130d515a752cece869f94 Mon Sep 17 00:00:00 2001
From: Pao <paotorres89@gmail.com>
Date: Fri, 8 Mar 2024 10:39:54 -0300
Subject: [PATCH] added parameter to setup_df

---
 pyMBE.py | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/pyMBE.py b/pyMBE.py
index 330ada3..a8dd4eb 100644
--- a/pyMBE.py
+++ b/pyMBE.py
@@ -2010,7 +2010,9 @@ def read_pmb_df (self,filename):
         if filename[-3:] != "csv":
             raise ValueError("Only files with CSV format are supported")
         df = self.pd.read_csv (filename,header=[0, 1], index_col=0)
+
         columns_names = self.setup_df()
+        print (columns_names)
         df.columns = columns_names
         self.df=df
         return df
@@ -2633,7 +2635,8 @@ def setup_df (self):
                         ('state_two','charge'),
                         ('sequence',''),
                         ('bond_object',''),
-                        ('parameters_of_the_potential','')
+                        ('parameters_of_the_potential',''),
+                        ('l0','')
                         ])
 
         self.df = self.pd.DataFrame (columns = columns_names)